SCHEMBL1275908

SCHEMBL1275908

Clc1ccc2c(c1)COC21CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 1/20 0.47
PNMT P11086 1/20 0.41
AVPR1A P37288 4/20 0.41
OXTR P30559 1/20 0.39
DRD2 P14416 1/20 0.38
KDM1A O60341 3/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL4045773 0.89 HTR2C (0.44) HTR2CHTR2AHTR2BPNMTAVPR1A
SCHEMBL31393901 0.85 AVPR1A (0.42) HTR2CHTR2AHTR2BAVPR1AOXTR
SCHEMBL21777640 0.83 HTR2C (0.42) HTR2CHTR2AHTR2BPNMTAVPR1A
SCHEMBL29190476 0.83 SLC6A4 (0.41) AVPR1AOXTRKDM1AKEAP1NFE2L2
SCHEMBL30508182 0.81 PNMT (0.41) HTR2CHTR2AHTR2BPNMTSIGMAR1
SCHEMBL3745717 0.81 AVPR1A (0.40) AVPR1AKDM1ASIGMAR1
SCHEMBL737193 0.81 DPP4 (0.42) HTR2CHTR2AAVPR1AOXTRSIGMAR1
SCHEMBL24203780 0.79 AVPR1A (0.44) AVPR1AOXTRKDM1AKEAP1NFE2L2
Hydrochloric Acid SCHEMBL4985671 0.79 AVPR1A (0.39) AVPR1AKDM1ASIGMAR1
SCHEMBL24203802 0.79 ATM (0.40) AVPR1AOXTRKDM1AKEAP1NFE2L2

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 60 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
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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 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
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO 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-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 US disclosed
EP-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 WO 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-6329385-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, VIRAL DISEASES AND GASTROINTESTINAL DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2001-12-11 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 (13 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT HTR2C 672/4885HTR2A 618/4885HTR2B 1659/4885
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 HTR2C 3890/4885HTR2A 3889/4885HTR2B 3789/4885
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 HTR2C 3873/4885HTR2A 3876/4885HTR2B 3798/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 HTR2C 1811/4885HTR2A 1145/4885HTR2B 1274/4885
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 HTR2C 3890/4885HTR2A 3889/4885HTR2B 3789/4885
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 HTR2C 4052/4885HTR2A 3897/4885HTR2B 4046/4885
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 HTR2C 4453/4885HTR2A 4654/4885HTR2B 4452/4885
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 HTR2C 4074/4885HTR2A 3892/4885HTR2B 4069/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 HTR2C 3346/4885HTR2A 2903/4885HTR2B 2086/4885
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 HTR2C 3836/4885HTR2A 3832/4885HTR2B 3669/4885
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 HTR2C 4041/4885HTR2A 3883/4885HTR2B 4027/4885
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 HTR2C 4041/4885HTR2A 3883/4885HTR2B 4027/4885
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 HTR2C 3873/4885HTR2A 3876/4885HTR2B 3798/4885

“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.