SCHEMBL655077

SCHEMBL655077

O=C1CNCCN1c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
MAPKAPK2 P49137 1/20 0.56
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
ADRB1 P08588 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
LTA4H P09960 2/20 0.44
WEE1 P30291 1/20 0.43
ALOX5 P09917 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
HTR2A P28223 1/20 0.41

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
Hydrochloric Acid SCHEMBL3657338 0.98 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3MAPKAPK2HTR3E
SCHEMBL3656969 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2MAPT
SCHEMBL4396319 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2WEE1
SCHEMBL85663 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2WEE1
SCHEMBL3667484 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAPKAPK2WEE1
SCHEMBL1584076 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAPKAPK2WEE1
SCHEMBL8286227 0.82 ADRB1 (0.52) SLC6A2SLC6A4SLC6A3MAPKAPK2ADRB1
Hydrochloric Acid SCHEMBL1583516 0.82 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MAPKAPK2MAPT
SCHEMBL532873 0.81 NPC1 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2HTR3E
SCHEMBL2990202 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MAPKAPK2HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-3182971-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) 2017-06-28 EP claimed
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 claimed
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-11939320-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2024-03-26 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-20210171508-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-06-10 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
CN-112166113-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-01 CN disclosed
EP-3704115-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 EP disclosed
EP-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 WO disclosed
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-03-06 US disclosed
US-6509346-B2 Antiinflammatory agents MILLENNIUM PHARMACEUTICALS, INC. 2003-01-21 US disclosed
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2002-11-14 US disclosed
US-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-08-29 US disclosed
EP-1204665-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
WO-2001009138-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO 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 (11 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-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 SLC6A2 1704/4885SLC6A4 1940/4885SLC6A3 1829/4885
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 SLC6A2 4825/4885SLC6A4 4849/4885SLC6A3 4844/4885
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 SLC6A2 4825/4885SLC6A4 4849/4885SLC6A3 4844/4885
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 SLC6A2 4833/4885SLC6A4 4841/4885SLC6A3 4859/4885
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation NFATC1, ELANE, NCF1 SLC6A2 1822/4885SLC6A4 2911/4885SLC6A3 2440/4885
US-11939320-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 SLC6A2 2340/4885SLC6A4 2116/4885SLC6A3 3310/4885
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 SLC6A2 4828/4885SLC6A4 4839/4885SLC6A3 4860/4885
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 SLC6A2 4832/4885SLC6A4 4841/4885SLC6A3 4859/4885
US-20210171508-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 SLC6A2 2340/4885SLC6A4 2116/4885SLC6A3 3310/4885
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 SLC6A2 4832/4885SLC6A4 4841/4885SLC6A3 4859/4885
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor CCL11, ACKR3, CXCR4 SLC6A2 1735/4885SLC6A4 1843/4885SLC6A3 1738/4885

“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.