SCHEMBL2270935

SCHEMBL2270935

Cc1ccccc1C1(O)CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.62
OPRM1 P35372 5/20 0.56
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
OPRL1 P41146 2/20 0.51
DRD2 P14416 1/20 0.43
HDAC4 P56524 1/20 0.41
GRIN2B Q13224 3/20 0.39
HTR2C P28335 4/20 0.39
ADRB1 P08588 1/20 0.39

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
Hydrochloric Acid SCHEMBL8175707 0.98 SIGMAR1 (0.60) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL29060516 0.86 OPRM1 (0.59) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2267707 0.85 SIGMAR1 (0.54) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4702868 0.82 SIGMAR1 (0.51) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL28994161 0.82 OPRM1 (0.56) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL27625085 0.82 OPRM1 (0.56) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL1660350 0.82 SIGMAR1 (0.62) SIGMAR1OPRM1DRD2HTR2C
SCHEMBL8222575 0.81 SIGMAR1 (0.57) SIGMAR1OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL10007651 0.80 SIGMAR1 (0.61) SIGMAR1OPRM1DRD2HTR2C
SCHEMBL5349864 0.80 OPRM1 (0.54) SIGMAR1OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP disclosed
US-6071932-A SUPPRESSING ABSORPTION OF GAMMA-AMINOBUTYRIC ACID FOR TREATMENT OF NERVOUS SYSTEM DISORDERS BRITISH TECHNOLOGY GROUP INTERCORPORATE LICENSING LIMITED (GB) 2000-06-06 US disclosed
EP-0823905-A1 NOVEL HETEROCYCLIC CHEMISTRY NOVO NORDISK A/S (DK) 1998-02-18 EP disclosed
WO-1996034863-A1 NOVEL HETEROCYCLIC CHEMISTRY NOVO NORDISK A/S (DK) 1996-11-07 WO disclosed
EP-0062873-A1 1-Substituted-4-phenyl-polyhydro-pyridines and -pyrrolidines, processes for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-10-20 EP disclosed
US-4340597-A 1-Substituted-4-aryl-1,2,5,6-tetrahydro and hexahydropyridines SCHERING CORPORATION (US) 1982-07-20 US disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 US disclosed
US-RE28973-E PARKINSON'S DISEASE A. H. ROBINS COMPANY, INCORPORATED (US) 1976-09-21 US 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 SIGMAR1 244/4885OPRM1 189/4885OPRD1 173/4885
US-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 SIGMAR1 3731/4885OPRM1 3770/4885OPRD1 3666/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 SIGMAR1 1460/4885OPRM1 742/4885OPRD1 536/4885

“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.