SCHEMBL12423917

SCHEMBL12423917

CC(O)C1CCN(C2CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.37
OPRM1 P35372 12/20 0.37
OPRK1 P41145 10/20 0.36
OPRD1 P41143 5/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRM1 P11229 1/20 0.32

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
SCHEMBL12423901 0.91 SIGMAR1 (0.41) OPRL1OPRM1OPRK1POLBSIGMAR1
SCHEMBL824131 0.80 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1
SCHEMBL13837573 0.77 DPP4 (0.41) OPRL1OPRM1SIGMAR1CHRM1
SCHEMBL24585209 0.76 OPRM1 (0.54) OPRL1OPRM1OPRK1OPRD1
SCHEMBL22814930 0.76 OPRM1 (0.40) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL10119962 0.76 OPRL1 (0.43) OPRL1OPRM1OPRK1OPRD1
SCHEMBL25784704 0.75 NCF1 (0.37) OPRM1KDM4EALDH1A1CHRM1
SCHEMBL6263030 0.75 NCF1 (0.37) OPRM1KDM4EALDH1A1CHRM1
SCHEMBL10271087 0.74 OPRM1 (0.39) OPRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL28876612 0.74 MEN1 (0.30)

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-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
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
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 4824/4885OPRK1 4459/4885

“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.