SCHEMBL736045

SCHEMBL736045

COc1ccc(N2CC3(CCNCC3)OCC2=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
OPRM1 P35372 3/20 0.44
OPRL1 P41146 1/20 0.44
SIGMAR1 Q99720 3/20 0.38
NTRK1 P04629 2/20 0.36
CSF1R P07333 2/20 0.36
NTRK2 Q16620 2/20 0.36
DPP4 P27487 1/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
OTUD7B Q6GQQ9 2/20 0.33
GRM4 Q14833 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
RIOK2 Q9BVS4 1/20 0.33

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
SCHEMBL4941184 0.86 SIGMAR1 (0.36) CHRNB2CHRNA4OPRM1OPRL1SIGMAR1
SCHEMBL736367 0.85 OPRM1 (0.40) OPRM1OPRL1SIGMAR1KCNJ1
SCHEMBL736328 0.85 SIGMAR1 (0.40) CHRNB2CHRNA4OPRM1OPRL1SIGMAR1
SCHEMBL736627 0.84 CHRNB2 (0.46) CHRNB2CHRNA4OPRM1OPRL1NTRK1
SCHEMBL736460 0.83 TRPV4 (0.39) CHRNB2CHRNA4OPRM1OPRL1SIGMAR1
SCHEMBL737780 0.82 CHRNB2 (0.41) CHRNB2CHRNA4OPRM1OPRL1CSF1R
SCHEMBL735954 0.82 SIGMAR1 (0.40) CHRNB2CHRNA4OPRM1OPRL1SIGMAR1
SCHEMBL737418 0.82 SIGMAR1 (0.44) OPRM1SIGMAR1NPC1
SCHEMBL736345 0.82 OPRM1 (0.40) CHRNB2CHRNA4OPRM1OPRL1SIGMAR1
SCHEMBL736974 0.82 SIGMAR1 (0.38) OPRM1OPRL1SIGMAR1

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.