SCHEMBL4014529

SCHEMBL4014529

[CH2]C1Cc2ccccc2CN1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.53
PNMT P11086 4/20 0.52
IDO1 P14902 1/20 0.37

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
SCHEMBL28154001 0.74 PNMT (0.39) PNMT
SCHEMBL4014446 0.74 DRD2 (0.43)
SCHEMBL12837115 0.73 PNMT (0.57) PRCPPNMTIDO1
SCHEMBL15334650 0.73 PNMT (0.58) PRCPPNMT
SCHEMBL31159189 0.73 PNMT (0.58) PRCPPNMT
SCHEMBL1690519 0.73 PNMT (0.58) PRCPPNMT
SCHEMBL18649952 0.73 PRCP (0.53) PRCPPNMT
SCHEMBL18649951 0.73 PRCP (0.53) PRCPPNMT
SCHEMBL8783615 0.73 PRCP (0.53) PRCPPNMT
SCHEMBL1690518 0.73 PNMT (0.58) PRCPPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221562-A1 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2009-09-03 US claimed
US-7538110-B2 e.g. 1-(8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2- alpha ]pyrazin-2(6H)-yl)-2-phenylethanone; analgesics; gastrointestinal dysfunction, post-surgical recovery; side effect reduction ADOLOR CORPORATION (US) 2009-05-26 US claimed
CN-101355951-A Novel opioid antagonists ADOLOR CORP (US) 2009-01-28 CN claimed
EP-1940412-A2 NOVEL OPIOID ANTAGONISTS Adolor Corporation (US) 2008-07-09 EP claimed
US-20070105863-A1 e.g. 1-(8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2- alpha ]pyrazin-2(6H)-yl)-2-phenylethanone; analgesics; gastrointestinal dysfunction, post-surgical recovery; side effect reduction MERCK SHARP & DOHME LLC 2007-05-10 US claimed
WO-2007050802-A2 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2007-05-03 WO claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
CN-106170479-B Acetenyl-imidazolidine-2,4-dione derivative as MGLUR4 regulator 豪夫迈·罗氏有限公司 2019-02-12 CN disclosed
CN-106170479-A Acetenyl imidazolidine 2,4 derovatives as MGLUR4 regulator 豪夫迈·罗氏有限公司 2016-11-30 CN disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO disclosed
US-20120231543-A1 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2012-09-13 US disclosed
US-20090221562-A1 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2009-09-03 US disclosed
US-7538110-B2 e.g. 1-(8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2- alpha ]pyrazin-2(6H)-yl)-2-phenylethanone; analgesics; gastrointestinal dysfunction, post-surgical recovery; side effect reduction ADOLOR CORPORATION (US) 2009-05-26 US disclosed
CN-101355951-A Novel opioid antagonists ADOLOR CORP (US) 2009-01-28 CN disclosed
EP-1940412-A2 NOVEL OPIOID ANTAGONISTS Adolor Corporation (US) 2008-07-09 EP disclosed
US-20070105863-A1 e.g. 1-(8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2- alpha ]pyrazin-2(6H)-yl)-2-phenylethanone; analgesics; gastrointestinal dysfunction, post-surgical recovery; side effect reduction MERCK SHARP & DOHME LLC 2007-05-10 US disclosed
WO-2007050802-A2 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2007-05-03 WO 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 (5 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 PRCP 1705/4885PNMT 3076/4885IDO1 2430/4885
US-20120231543-A1 NOVEL OPIOID ANTAGONISTS OPRK1, OPRM1, OPRL1 PRCP 942/4885PNMT 223/4885IDO1 293/4885
US-20090221562-A1 NOVEL OPIOID ANTAGONISTS OPRK1, OPRM1, OPRL1 PRCP 942/4885PNMT 223/4885IDO1 293/4885
US-20070105863-A1 e.g. 1-(8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2- alpha ]pyrazin-2(6H)-yl)-2-phenylethanone; analgesics; gastrointestinal dysfunction, post-surgical recovery; side effect reduction OPRK1, OPRD1, OPRM1 PRCP 2365/4885PNMT 62/4885IDO1 259/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PRCP 1705/4885PNMT 3076/4885IDO1 2430/4885

“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.