SCHEMBL736154

SCHEMBL736154

N#Cc1cncc(N2CC3(CCNCC3)OCC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRL1 P41146 1/20 0.44
CHRNB2 P17787 9/20 0.39
CHRNA4 P43681 9/20 0.39
CHRNB4 P30926 7/20 0.39
CHRNA3 P32297 7/20 0.39
KCNJ1 P48048 2/20 0.39
KCNH2 Q12809 2/20 0.39
SIGMAR1 Q99720 3/20 0.37
FASN P49327 1/20 0.32
LCAT P04180 2/20 0.32
NSD2 O96028 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
SCHEMBL735671 0.81 CHRNB2 (0.46) OPRM1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL736441 0.81 SIGMAR1 (0.42) OPRM1OPRL1KCNH2SIGMAR1LCAT
SCHEMBL737073 0.81 SIGMAR1 (0.46) OPRM1OPRL1KCNJ1KCNH2SIGMAR1
SCHEMBL736596 0.78 SIGMAR1 (0.46) OPRM1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL737026 0.77 SIGMAR1 (0.47) OPRM1SIGMAR1FASN
SCHEMBL737485 0.74 SIGMAR1 (0.40) OPRM1SIGMAR1
SCHEMBL737442 0.74 SIGMAR1 (0.62) OPRM1KCNH2SIGMAR1
SCHEMBL736367 0.72 OPRM1 (0.40) OPRM1OPRL1KCNJ1SIGMAR1
SCHEMBL736328 0.72 SIGMAR1 (0.40) OPRM1OPRL1CHRNB2CHRNA4KCNH2
SCHEMBL735954 0.72 SIGMAR1 (0.40) OPRM1OPRL1CHRNB2CHRNA4SIGMAR1

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 OPRM1 15/4885OPRL1 33/4885CHRNB2 154/4885

“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.