SCHEMBL75647

SCHEMBL75647

OC1(C2CC2)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.71
OPRM1 P35372 13/20 0.71
OPRK1 P41145 11/20 0.71
OPRD1 P41143 10/20 0.60
CYP3A4 P08684 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
ALDH1A1 P00352 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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 SCHEMBL62422 0.98 OPRL1 (0.69) OPRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL31740265 0.89 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL31061425 0.83 OPRM1 (1.00) OPRL1OPRM1OPRK1OPRD1
SCHEMBL75677 0.79 OPRM1 (0.53) OPRL1OPRM1OPRK1OPRD1CYP3A4
Hydrochloric Acid SCHEMBL61570 0.77 OPRM1 (0.51) OPRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL71724 0.76 NPSR1 (0.57) OPRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL28176312 0.76 OPRM1 (0.51) OPRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL1368994 0.75 OPRM1 (0.49) OPRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL14742155 0.74 CYP3A4 (0.69) OPRL1OPRM1OPRK1OPRD1CYP3A4
Hydrochloric Acid SCHEMBL2951072 0.74 NPSR1 (0.56) OPRL1OPRM1OPRK1OPRD1CYP3A4

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
US-20180273553-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2018-09-27 US disclosed
US-10011616-B2 Boron-containing small molecules as antiprotozoal1 agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2018-07-03 US disclosed
US-20180072760-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2018-03-15 US disclosed
EP-3280717-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS Anacor Pharmaceuticals, Inc. (US) 2018-02-14 EP disclosed
CN-107567456-A Boron-containing small molecules as antiprotozoan agent 安纳考尔医药公司 2018-01-09 CN disclosed
EP-1954277-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2017-01-18 EP disclosed
WO-2016164814-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2016-10-13 WO disclosed
CN-102307869-B Aminopyrazine derivative and medicine NIPPON SHINYAKU CO.,LTD. (JP) 2014-10-22 CN disclosed
US-20140141099-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED 2014-05-22 US disclosed
US-8673891-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2014-03-18 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 US disclosed
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 US disclosed
US-20070179125-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070179125-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
WO-2007056221-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 WO disclosed
US-20050096297-A1 Antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-05 US disclosed
US-20050096308-A1 Antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-05 US disclosed
WO-2005026153-A1 QUINAZOLINE-2, 4-DIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
WO-2005026146-A1 AZETIDINYL QUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 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 (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-10011616-B2 Boron-containing small molecules as antiprotozoal1 agents HBS1L, DBNL, BOD1L1 OPRL1 3811/4885OPRM1 4519/4885OPRK1 4609/4885
US-20180072760-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS ABCB11, ABCB7, BRI3BP OPRL1 4395/4885OPRM1 4310/4885OPRK1 4314/4885
US-20070179125-A1 Aminopyrimidines useful as kinase inhibitors ABL1, MAP3K5, MAP3K20 OPRL1 3870/4885OPRM1 4691/4885OPRK1 2425/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 OPRL1 3894/4885OPRM1 4714/4885OPRK1 2473/4885
US-20180273553-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP OPRL1 4505/4885OPRM1 4380/4885OPRK1 4482/4885
US-20050096297-A1 Antibacterial agents MRPL21, RPN2, FBL OPRL1 1787/4885OPRM1 1670/4885OPRK1 1196/4885
US-20140141099-A1 DRUG DISCOVERY METHODS AURKB, AURKC, AURKA OPRL1 4326/4885OPRM1 4722/4885OPRK1 3672/4885
US-20050096308-A1 Antibacterial agents MRPL21, RPN2, FBL OPRL1 1787/4885OPRM1 1670/4885OPRK1 1196/4885
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 OPRL1 3894/4885OPRM1 4714/4885OPRK1 2473/4885

“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.