SCHEMBL169946

SCHEMBL169946

O=c1cc[nH]c2sccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.46
KMT2A Q03164 2/20 0.45
ERCC1 P07992 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
PARP15 Q460N3 3/20 0.41
TNKS2 Q9H2K2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
DAO P14920 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PARP10 Q53GL7 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL4238757 0.74 ALDH1A1 (0.41) KMT2AERCC1ERCC5FEN1ERCC4
SCHEMBL396627 0.67
SCHEMBL2284623 0.67 PARP1 (0.43) KMT2AERCC1ERCC5FEN1ERCC4
SCHEMBL20551383 0.67 CCR8 (0.34) CCR8KMT2APARP1DAOADORA2A
SCHEMBL21585567 0.67 ERCC1 (0.41) KMT2AERCC1ERCC5FEN1ERCC4
SCHEMBL3842031 0.66 CYP1A2 (0.36) CCR8KMT2AERCC1ERCC5FEN1
SCHEMBL9838442 0.65 CCR8 (0.42) CCR8KMT2AALDH1A1ADORA2AADORA1
SCHEMBL9838418 0.65 ALDH1A1 (0.47) CCR8KMT2AALDH1A1PARP1ADORA2A
SCHEMBL1497985 0.65 PDPK1 (0.40) CCR8KMT2AALDH1A1PARP1DAO
SCHEMBL2435365 0.65 PARP1 (0.42) CCR8KMT2APARP15TNKS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-8273716-B2 Use of LHRH antagonists for intermittent treatments SPECTRUM PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
EP-1644342-B1 Arylpyrimidines useful for the treatment of sex hormone-related conditions such as endometriosis, prostate cancer and the like NEUROCRINE BIOSCIENCES INC (US) 2012-05-09 EP disclosed
US-8148546-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2012-04-03 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-8067456-B2 Tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) AETERNA ZENTARIS GMBH (DE) 2011-11-29 US disclosed
EP-2278964-A1 USE OF LHRH ANTAGONISTS AT NON-CASTRATING DOSES Æterna Zentaris GmbH (DE) 2011-02-02 EP disclosed
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP disclosed
EP-1520855-B1 Thieno(2,3-b)pyridine derivatives useful as antagonists of gonadotropin releasing hormone ORTHO MCNEIL JANSSEN PHARM (US) 2009-12-02 EP disclosed
EP-0862573-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-09-09 EP disclosed
US-5744479-A PITUITARY HORMONE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
WO-1997040846-A1 COMBINED USE OF GnRH AGONIST AND ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-11-06 WO disclosed
EP-0781774-A2 Prolactin production inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-02 EP disclosed
WO-1997014697-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-24 WO disclosed
EP-0756599-A1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1997-02-05 EP disclosed
WO-1995028405-A1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed
EP-0223420-B1 CONDENSED IMIDAZOPYRIDINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-02-27 EP disclosed
US-4753951-A ANTIDEPRESSANTS, ANXIOLYTICS SHIONOGI & CO., LTD. (JP) 1988-06-28 US disclosed
EP-0223420-A1 Condensed imidazopyridine derivatives SHIONOGI & CO., LTD. (JP) 1987-05-27 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 (1 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-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 CCR8 1204/4885KMT2A 4477/4885ERCC1 3288/4885

“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.