SCHEMBL736627

SCHEMBL736627

COc1ccc(N2CC3(CCNCC3)OC2=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.46
CHRNA4 P43681 4/20 0.46
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
CDK4 P11802 4/20 0.44
TRPV4 Q9HBA0 2/20 0.41
SSTR5 P35346 4/20 0.39
NTRK1 P04629 2/20 0.37
CSF1R P07333 2/20 0.37
NTRK2 Q16620 2/20 0.37
GRM5 P41594 2/20 0.37
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPY5R Q15761 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36

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
SCHEMBL736649 0.84 OPRM1 (0.42) OPRM1OPRL1CDK4SSTR5GRM5
SCHEMBL736268 0.84 CDK4 (0.45) OPRM1CDK4SSTR5GRM5ADRA1A
SCHEMBL736045 0.84 CHRNB2 (0.44) CHRNB2CHRNA4OPRM1OPRL1TRPV4
SCHEMBL736989 0.81 CDK4 (0.43) OPRM1CDK4SSTR5GRM5ADRA1A
SCHEMBL735135 0.81 SSTR5 (0.46) SSTR5
SCHEMBL736348 0.79 OPRL1 (0.44) OPRM1OPRL1CDK4SSTR5GRM5
SCHEMBL12425491 0.79 CDK4 (0.47) OPRM1CDK4TRPV4GRM5ADRA1A
SCHEMBL2303391 0.79 CDK4 (0.47) OPRM1CDK4TRPV4GRM5ADRA1A
SCHEMBL12425874 0.79 CDK4 (0.47) OPRM1CDK4TRPV4GRM5ADRA1A
SCHEMBL738199 0.79 CDK4 (0.44) OPRM1CDK4SSTR5GRM5ADRA1A

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-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 CHRNB2 154/4885CHRNA4 21/4885OPRM1 15/4885

“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.