SCHEMBL2196605

SCHEMBL2196605

C[C@@H](c1ccc(C2(O)CN(C(c3ccccc3)c3ccccc3)C2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.44
OPRM1 P35372 17/20 0.43
OPRD1 P41143 17/20 0.43
OPRK1 P41145 17/20 0.43
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2202199 0.78 KMT2A (0.40) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL2197918 0.77 OPRD1 (0.44) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6775745 0.76 OPRL1 (0.52) OPRL1OPRM1OPRD1OPRK1
SCHEMBL14635953 0.75 OPRM1 (0.69) OPRL1OPRM1OPRD1OPRK1
SCHEMBL15155645 0.75 OPRD1 (0.57) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL27788821 0.74 CTSK (0.45) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL4388699 0.73 KMT2A (0.45) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL27979542 0.72 OPRD1 (0.51) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL6498050 0.71 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1
SCHEMBL15156334 0.71 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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 (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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 OPRL1 4259/4885OPRM1 4824/4885OPRD1 4402/4885

“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.