SCHEMBL1012828

SCHEMBL1012828

c1ccc2c(c1)NCC21CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
KDM1A O60341 1/20 0.43
AVPR1A P37288 1/20 0.41
KCNH2 Q12809 1/20 0.38
HDAC1 Q13547 1/20 0.38
BACE1 P56817 1/20 0.38
PDE7A Q13946 1/20 0.35
HTR2A P28223 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL29479467 1.00 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL25172685 0.94 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL2260175 0.91 TNKS (0.45) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL1828877 0.91 TNKS (0.45) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL29384445 0.91 TNKS (0.45) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL29609239 0.91 TNKS (0.45) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL25231375 0.90 TNKS (0.40) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL20469127 0.90 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL21537943 0.90 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
Hydrochloric Acid SCHEMBL16600202 0.90 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 EP claimed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 US claimed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 EP claimed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 WO claimed
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP claimed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US claimed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US claimed
EP-3286166-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP claimed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-27 WO claimed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US claimed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 US claimed
US-20260125421-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2026-05-07 US disclosed
EP-4727648-A1 CANNABINOID RECEPTOR 2 MODULATORS F. Hoffmann-La Roche AG (CH) 2026-04-22 EP disclosed
EP-4602050-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-08-20 EP disclosed
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME MONTE ROSA THERAPEUTICS AG (CH) 2025-05-29 US disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 WO disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
EP-0403882-A2 Indole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-27 EP 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 (10 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-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 TNKS 4361/4885TNKS2 4240/4885OPRM1 779/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC TNKS 1024/4885TNKS2 1369/4885OPRM1 893/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR TNKS 1682/4885TNKS2 2169/4885OPRM1 1442/4885
US-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H TNKS 1523/4885TNKS2 2434/4885OPRM1 3356/4885
US-20260125421-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, GTF3C3 TNKS 2281/4885TNKS2 3957/4885OPRM1 2047/4885
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME PSMA1, CSNK1G1, CSNK1A1 TNKS 90/4885TNKS2 233/4885OPRM1 4240/4885
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases EDNRA, PTGIS, EDNRB TNKS 1656/4885TNKS2 2108/4885OPRM1 1933/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H TNKS 1523/4885TNKS2 2434/4885OPRM1 3356/4885
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TNKS 2125/4885TNKS2 2675/4885OPRM1 160/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 TNKS 1942/4885TNKS2 2182/4885OPRM1 1322/4885

“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.