SCHEMBL362937

SCHEMBL362937

COc1cccc(C[C]=O)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
CMA1 P23946 1/20 0.54
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
CYP1A2 P05177 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
AOC3 Q16853 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTBP2 P56545 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL5957775 0.85 TAAR1 (0.55) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL56662 0.81 CYP3A4 (0.50) CHRM2CHRM1CHRM3CYP1A2ALDH1A1
SCHEMBL910482 0.81 TAAR1 (0.61) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL11503299 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL6461595 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL101334 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL9781777 0.80 P2RX3 (0.46) TAAR1ALDH1A1HTTSMN1; SMN2
SCHEMBL2121275 0.79 ALDH1A1 (0.50) TAAR1ALDH1A1
SCHEMBL10424390 0.79 PTGS1 (0.57) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL28253700 0.79 FFAR1 (0.48) MAOBALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
EP-2755983-B1 SUBSTITUTED CARBONYLOXYMETHYLPHOSPHORAMIDATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-15 EP claimed
US-9403863-B2 Substituted carbonyloxymethylphosphoramidate compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS LLC (US) 2016-08-02 US claimed
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP claimed
EP-1556417-B1 RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS BASELL POLYOLEFINE GMBH (DE) 2009-06-10 EP claimed
EP-1554297-B1 RACEMOSELECTIVE SYNTHESIS OF RAC-DIORGANOSILYLBIS(2-METHYLBENZO¬E|INDEYL) ZIRCONIUM COMPONDS BASELL POLYOLEFINE GMBH (DE) 2006-07-12 EP claimed
EP-1543030-A2 MODIFIED GLP-1 PEPTIDES WITH INCREASED BIOLOGICAL POTENCY THERATECHNOLOGIES INC. (CA) 2005-06-22 EP claimed
US-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-11-04 US claimed
US-20040127412-A1 Modified GLP-1 peptides with increased biological potency THERATECHNOILOGIES INC. 2004-07-01 US claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1997010211-A1 NOVEL HUMAN NK3 RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1997-03-20 WO claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
US-5144037-A Viricides G. D. SEARLE & CO. (US) 1992-09-01 US claimed
EP-0494850-A2 Novel antiviral compounds G.D. Searle & Co. (US) 1992-07-15 EP claimed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 TAAR1 806/4885IDO1 1516/4885AGXT 4383/4885
US-20040127412-A1 Modified GLP-1 peptides with increased biological potency GLP1R, VIP, IAPP TAAR1 2060/4885IDO1 151/4885AGXT 213/4885

“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.