SCHEMBL3032073

SCHEMBL3032073

COc1ccc(C2(O)CN(C(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.77
OPRM1 P35372 15/20 0.77
OPRD1 P41143 15/20 0.77
OPRK1 P41145 15/20 0.77
USP2 O75604 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CACNA2D1 P54289 2/20 0.48
CACNA1B Q00975 2/20 0.48
CACNB1 Q02641 2/20 0.48
CACNA1C Q13936 2/20 0.48
CACNA1G O43497 1/20 0.48

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
SCHEMBL14635953 0.84 OPRM1 (0.69) OPRL1OPRM1OPRD1OPRK1
SCHEMBL15156334 0.80 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1
SCHEMBL6498050 0.80 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL6363940 0.80 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1
SCHEMBL6775745 0.79 OPRL1 (0.52) OPRL1OPRM1OPRD1OPRK1
SCHEMBL15155645 0.78 OPRD1 (0.57) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL23272067 0.77 OPRL1 (0.60) OPRL1OPRM1OPRD1OPRK1USP2
SCHEMBL5900824 0.77 OPRM1 (0.75) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL6780954 0.77 OPRL1 (0.69) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL27979542 0.75 OPRD1 (0.51) OPRL1OPRM1OPRD1OPRK1CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 EP disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 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 (1 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-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ERBB2, ABL1, GRK2 OPRL1 1161/4885OPRM1 361/4885OPRD1 674/4885

“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.