SCHEMBL338476

SCHEMBL338476

CCOC(=O)/C=C/c1ccc2c(c1)CCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.56
DPP4 P27487 1/20 0.56
ALOX5 P09917 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAOB P27338 1/20 0.51
CYP3A4 P08684 1/20 0.50
FDPS P14324 1/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 2/20 0.47
CNR2 P34972 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 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
SCHEMBL2871517 1.00 TTR (0.56) TTRDPP4ALOX5CA12CA1
SCHEMBL12499737 0.85 KDM4E (0.62) TTRDPP4ALOX5CA12CA1
SCHEMBL11014364 0.85 KDM4E (0.62) TTRDPP4ALOX5CA12CA1
SCHEMBL30970352 0.85 KDM4E (0.64) TTRCA12CA1CA2CA7
SCHEMBL26407357 0.81 TTR (0.49) TTRDPP4ALOX5CA12CA1
SCHEMBL6349783 0.81 DYRK1A (0.51) MAOBALDH1A1KDM4ENPC1RAB9A
SCHEMBL6349789 0.81 DYRK1A (0.51) MAOBALDH1A1KDM4ENPC1RAB9A
SCHEMBL847088 0.81 ALOX5 (0.52) TTRDPP4ALOX5CA12CA1
SCHEMBL847089 0.81 ALOX5 (0.52) TTRDPP4ALOX5CA12CA1
SCHEMBL13705929 0.81 IAPP (0.56) KDM4ENPC1RAB9AGPR183MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
EP-1792899-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-07-09 EP disclosed
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-20130079397-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed
EP-2098519-A1 Process for the synthesis of ramelteon and its intermediates Teva Pharmaceutical Industries Ltd. (IL) 2009-09-09 EP disclosed
WO-2009056993-A2 A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-07 WO disclosed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 US disclosed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 US disclosed
US-20090036521-A1 Process for Production of Optically Active Amine Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-05 US disclosed
WO-2008151170-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-11 WO disclosed
US-20080242877-A1 Methoxy-indenyl-propionic ester or amide; to produce (S) N-[2-(1, 6, 7, 8-tetrahydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]propionamide i.e. Ramelteon; insomnia TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-02 US disclosed
US-20080242877-A1 Methoxy-indenyl-propionic ester or amide; to produce (S) N-[2-(1, 6, 7, 8-tetrahydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]propionamide i.e. Ramelteon; insomnia TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-02 US disclosed
WO-2008106179-A1 INTERMEDIATES AND PROCESSES FOR THE SYNTHESIS OF RAMELTEON TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-09-04 WO disclosed
EP-1792899-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2007-06-06 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 (9 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 TTR 531/4885DPP4 2947/4885ALOX5 1133/4885
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT TTR 3137/4885DPP4 2027/4885ALOX5 928/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 TTR 531/4885DPP4 2947/4885ALOX5 1133/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV TTR 661/4885DPP4 2679/4885ALOX5 1464/4885
US-20080242877-A1 Methoxy-indenyl-propionic ester or amide; to produce (S) N-[2-(1, 6, 7, 8-tetrahydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]propionamide i.e. Ramelteon; insomnia CNR2, PNMT, GABRP TTR 3178/4885DPP4 3692/4885ALOX5 509/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 TTR 531/4885DPP4 2947/4885ALOX5 1133/4885
US-20090036521-A1 Process for Production of Optically Active Amine Derivatives INMT, TYR, PNMT TTR 3137/4885DPP4 2027/4885ALOX5 928/4885
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 TTR 2119/4885DPP4 4433/4885ALOX5 1639/4885
US-20130079397-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT TTR 3137/4885DPP4 2027/4885ALOX5 928/4885

“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.