SCHEMBL229176

SCHEMBL229176

CCOC(=O)c1ccc(O)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA7 P43166 5/20 0.55
CA9 Q16790 5/20 0.55
CA14 Q9ULX7 5/20 0.55
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
CYP1A2 P05177 1/20 0.53
GABRA1 P14867 7/20 0.49
GABRG2 P18507 7/20 0.49
GABRB3 P28472 7/20 0.49
GABRA5 P31644 7/20 0.49
GABRA3 P34903 7/20 0.49
GABRA2 P47869 7/20 0.49
GABRA4 P48169 7/20 0.49
GABRA6 Q16445 7/20 0.49
GABRP O00591 6/20 0.49
GABRD O14764 6/20 0.49
GABRB1 P18505 6/20 0.49

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
SCHEMBL11633585 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL82426 0.84 CYP1A2 (0.55) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL31172628 0.84 CYP1A2 (0.55) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1971939 0.82 MAPK1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL10003611 0.82 CYP1A2 (0.53) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL29637478 0.82 MAPK1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL129659 0.81 CYP1A2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL435154 0.81 GABRA2 (0.57) CA12CA1CA2CA7CA9
SCHEMBL347328 0.81 CYP1A2 (0.51) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL754777 0.81 CYP1A2 (0.56) CYP1A2GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108239089-B Method for synthesizing avibactam sodium 浙江医药股份有限公司新昌制药厂 2020-05-22 CN disclosed
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP disclosed
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP disclosed
CN-108239019-A The synthetic method of one kind (2S, 5S or 5R)-N- tertbutyloxycarbonyls -5- hydroxyls -2-piperidinecarboxylic acid ethyl ester 浙江医药股份有限公司新昌制药厂 2018-07-03 CN disclosed
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
US-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide BANYU PHARMACEUTICAL., LTD. (JP) 2007-10-25 US disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 EP disclosed
WO-2007008963-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 WO disclosed
WO-2007008963-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 WO disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 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 (3 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-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide MC1R, MCHR2, MCHR1 CA12 4496/4885CA1 4817/4885CA2 2069/4885
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 CA12 4786/4885CA1 4792/4885CA2 3649/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 CA12 855/4885CA1 442/4885CA2 981/4885

“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.