SCHEMBL3711991

SCHEMBL3711991

Clc1ccc(N2CC3CC2CN3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.68
CHRNA4 P43681 11/20 0.68
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15790545 1.00 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
Bromide SCHEMBL27157764 0.98 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3
Bromide SCHEMBL15775912 0.98 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3
Piperazine SCHEMBL1203054 0.94 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26288696 0.85 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13589901 0.85 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5497908 0.85 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7241098 0.85 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
Bromide SCHEMBL5075013 0.84 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24028165 0.83 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240122951-A1 METHOD TO TREAT LIPID DYSREGULATION BY MODULATING ACTIVITY OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN WITH SMALL MOLECULE LIGANDS SRX CARDIO, LLC 2024-04-18 US disclosed
US-11771710-B2 Method to treat lipid dysregulation by modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) protein activity with small molecule ligands SRX CARDIO, LLC (US) 2023-10-03 US disclosed
US-20210275551-A1 METHOD TO TREAT LIPID DYSREGULATION BY MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN ACTIVITY WITH SMALL MOLECULE LIGANDS SRX CARDIO, LLC 2021-09-09 US disclosed
US-11026957-B2 Method to treat lipid dysregulation by modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) protein activity with small molecule ligands SRX CARDIO, LLC (US) 2021-06-08 US disclosed
US-20200253995-A1 METHOD TO TREAT HYPERCHOLESTEROLEMIA BY MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN ACTIVITY WITH SMALL MOLECULE LIGANDS SRX CARDIO, LLC 2020-08-13 US disclosed
US-10688114-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity SXR Cardio, LLC (US) 2020-06-23 US disclosed
US-10307433-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity SRX CARDIO, LLC (US) 2019-06-04 US disclosed
US-20180303855-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX CARDIO, LLC 2018-10-25 US disclosed
US-10034892-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity SRX CARDIO, LLC (US) 2018-07-31 US disclosed
US-20170246196-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX CARDIO, LLC (US) 2017-08-31 US disclosed
WO-2016029037-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX CARDIO, LLC (US) 2016-02-25 WO disclosed
EP-2215093-B1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2011-12-14 EP disclosed
EP-2215093-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009050236-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050236-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
EP-1757608-A1 New benzazepine derivatives, medicaments containing the same and their use in the preparation of medicaments Sanochemia Pharmazeutika Aktiengesellschaft (AT) 2007-02-28 EP disclosed
US-7101890-B2 Benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2006-09-05 US disclosed
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2004-04-08 US disclosed
US-6638925-B2 In particular benzofuro(3a,3,2,ef)(2)benzazepin; treatment of Alzheimer's disease and related dementia conditions, Langdon-Down syndrome SANOCHEMIA LTD. (MT) 2003-10-28 US disclosed
US-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS SANOCHEMIA LTD. (MT) 2003-05-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170246196-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY PCSK9, LDLR, PCSK7 CHRNB2 2985/4885CHRNA4 3587/4885CHRNB4 3052/4885
US-10307433-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity PCSK9, LDLR, PCSK7 CHRNB2 3002/4885CHRNA4 3580/4885CHRNB4 3059/4885
US-20180303855-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY PCSK9, LDLR, PCSK7 CHRNB2 3002/4885CHRNA4 3580/4885CHRNB4 3059/4885
US-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS PSEN2, BACE2, BACE1 CHRNB2 108/4885CHRNA4 354/4885CHRNB4 170/4885
US-10034892-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity PCSK9, LDLR, PCSK7 CHRNB2 2985/4885CHRNA4 3587/4885CHRNB4 3052/4885
US-20210275551-A1 METHOD TO TREAT LIPID DYSREGULATION BY MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN ACTIVITY WITH SMALL MOLECULE LIGANDS PCSK9, LDLR, PCSK7 CHRNB2 3597/4885CHRNA4 3803/4885CHRNB4 3588/4885
US-20240122951-A1 METHOD TO TREAT LIPID DYSREGULATION BY MODULATING ACTIVITY OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN WITH SMALL MOLECULE LIGANDS PCSK9, LDLR, PCSK7 CHRNB2 3533/4885CHRNA4 3703/4885CHRNB4 3512/4885
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs BACE2, PSEN2, BACE1 CHRNB2 84/4885CHRNA4 153/4885CHRNB4 92/4885
US-20200253995-A1 METHOD TO TREAT HYPERCHOLESTEROLEMIA BY MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN ACTIVITY WITH SMALL MOLECULE LIGANDS PCSK9, LDLR, PCSK7 CHRNB2 3363/4885CHRNA4 3447/4885CHRNB4 3232/4885
US-11026957-B2 Method to treat lipid dysregulation by modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) protein activity with small molecule ligands PCSK9, LDLR, PCSK7 CHRNB2 3579/4885CHRNA4 3794/4885CHRNB4 3574/4885
US-11771710-B2 Method to treat lipid dysregulation by modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) protein activity with small molecule ligands PCSK9, LDLR, PCSK7 CHRNB2 3579/4885CHRNA4 3794/4885CHRNB4 3574/4885
US-10688114-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity PCSK9, LDLR, PCSK7 CHRNB2 3002/4885CHRNA4 3580/4885CHRNB4 3059/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.