SCHEMBL75677

SCHEMBL75677

FC1(C2CC2)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.53
OPRK1 P41145 7/20 0.53
OPRL1 P41146 7/20 0.53
CYP2D6 P10635 5/20 0.47
CYP3A4 P08684 5/20 0.47
USP2 O75604 4/20 0.47
CYP2C9 P11712 3/20 0.47
CYP1A2 P05177 2/20 0.47
OPRD1 P41143 6/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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 SCHEMBL61570 0.98 OPRM1 (0.51) OPRM1OPRK1OPRL1CYP2D6CYP3A4
SCHEMBL2656183 0.79 CYP2D6 (0.55) OPRM1OPRK1OPRL1CYP2D6CYP3A4
SCHEMBL75647 0.79 OPRL1 (0.71) OPRM1OPRK1OPRL1CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL62422 0.77 OPRL1 (0.69) OPRM1OPRK1OPRL1CYP2D6CYP3A4
SCHEMBL1368994 0.75 OPRM1 (0.49) OPRM1OPRK1OPRL1CYP2D6CYP3A4
SCHEMBL14742155 0.74 CYP3A4 (0.69) OPRM1OPRK1OPRL1CYP2D6CYP3A4
SCHEMBL13182972 0.71 CYP2D6 (0.47) OPRM1OPRK1OPRL1CYP2D6CYP3A4
SCHEMBL13449264 0.71 CYP3A4 (0.47) OPRM1OPRK1OPRL1CYP2D6CYP3A4
SCHEMBL14676735 0.71 CYP3A4 (0.51) OPRM1OPRK1OPRL1CYP2D6CYP3A4
SCHEMBL10047375 0.71 NPSR1 (0.61) OPRM1OPRK1OPRL1CYP2D6CYP3A4

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
EP-1954277-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2017-01-18 EP disclosed
EP-1948193-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2015-01-07 EP disclosed
US-20140141099-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED 2014-05-22 US disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-07 US disclosed
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-07 US disclosed
US-8129399-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-8129399-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20110269732-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-03 US disclosed
US-7528142-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-05 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 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-2007059299-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 WO disclosed
WO-2007056164-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 WO disclosed
WO-2007056221-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 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 (6 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-20070179125-A1 Aminopyrimidines useful as kinase inhibitors ABL1, MAP3K5, MAP3K20 OPRM1 4691/4885OPRK1 2425/4885OPRL1 3870/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 OPRM1 4714/4885OPRK1 2473/4885OPRL1 3894/4885
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 OPRM1 4714/4885OPRK1 2473/4885OPRL1 3894/4885
US-20140141099-A1 DRUG DISCOVERY METHODS AURKB, AURKC, AURKA OPRM1 4722/4885OPRK1 3672/4885OPRL1 4326/4885
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 OPRM1 4714/4885OPRK1 2473/4885OPRL1 3894/4885
US-20110269732-A1 DRUG DISCOVERY METHODS AURKB, AURKC, AURKA OPRM1 4722/4885OPRK1 3672/4885OPRL1 4326/4885

“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.