SCHEMBL2004305

SCHEMBL2004305

COc1cc(C[NH])ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
CYP3A4 P08684 2/20 0.66
ALOX5 P09917 2/20 0.66
AR P10275 1/20 0.66
PTGS1 P23219 1/20 0.66
TRPM8 Q7Z2W7 1/20 0.66
TAAR1 Q96RJ0 2/20 0.65
TSHR P16473 2/20 0.65
MAPK1 P28482 1/20 0.65
FOS P01100 1/20 0.62
TTR P02766 1/20 0.62
JUN P05412 1/20 0.62
NR3C1 P04150 1/20 0.62
HSD17B1 P14061 1/20 0.62
HSD17B2 P37059 1/20 0.62
LMNA P02545 1/20 0.62
GLA P06280 1/20 0.62
PTPN1 P18031 2/20 0.61
GAA P10253 1/20 0.61
NFKB1 P19838 1/20 0.61

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
SCHEMBL4703184 0.85 TAAR1 (0.71) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL620909 0.84 CYP1A2 (0.62) CYP3A4TSHRLMNAGAANFKB1
SCHEMBL29604390 0.83 PTPN1 (0.82) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL68178 0.83 CALM1 (0.79) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL17780116 0.83 PTPN1 (0.82) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL17843665 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL17843664 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4ALOX5ARPTGS1
Vanillyl Alcohol SCHEMBL62348 0.82 TAAR1 (0.67) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL109504 0.82 TAAR1 (0.67) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL29455076 0.82 TAAR1 (0.67) ALDH1A1CYP3A4ALOX5ARPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US claimed
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP claimed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US claimed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO claimed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP claimed
EP-2245031-B1 6,9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE AS COSMETICS AND COSMETIC COMPOSITIONS INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2014-02-26 EP disclosed
US-8575182-B2 6, 9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions Institute of Experimental Botany, Academy of Sciences of the Czeck Republic (CZ) 2013-11-05 US disclosed
US-8552013-B2 Heterocyclic compounds based on N6-substituted adenine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2013-10-08 US disclosed
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
US-8148546-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2012-04-03 US disclosed
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2011-09-22 US disclosed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP disclosed
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2008-01-17 US disclosed
US-7279482-B2 Heterocyclic compound based on N6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds Ústav experimentálni botaniky Akademie ved Ceské republiky (CZ) 2007-10-09 US disclosed
US-7169772-B2 4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2007-01-30 US disclosed
EP-0988309-B1 C-4''-SUBSTITUTED MACROLIDE DERIVATIVES PFIZER PROD INC (US) 2005-11-23 EP disclosed
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 US disclosed
US-20050004103-A1 4,4-Difluoro-1,2,3,4-tetrahydro-5h-1-benzazepine derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1445253-A1 4,4-DIFLUORO-1, 2, 3, 4-TETRAHYDRO-5H-1-BENZAZEPINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-08-11 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 (6 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-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS TYMP, CCNB1, CCNA2 ALDH1A1 2666/4885CYP3A4 3751/4885ALOX5 2639/4885
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885CYP3A4 1753/4885ALOX5 1107/4885
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ATIC, UMPS, CCNB1 ALDH1A1 2065/4885CYP3A4 4114/4885ALOX5 2713/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885CYP3A4 1753/4885ALOX5 1107/4885
US-20050004103-A1 4,4-Difluoro-1,2,3,4-tetrahydro-5h-1-benzazepine derivatives or salts thereof AVPR2, AVPR1B, AVPR1A ALDH1A1 1876/4885CYP3A4 977/4885ALOX5 2436/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP ALDH1A1 513/4885CYP3A4 3342/4885ALOX5 502/4885

“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.