SCHEMBL736345

SCHEMBL736345

COc1ccc(N2CC3(CCN(c4ccc(O)cc4)CC3)OCC2=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
MLLT1 Q03111 1/20 0.39
OPRL1 P41146 1/20 0.39
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
KCNJ1 P48048 2/20 0.38
KCNH2 Q12809 1/20 0.38
ENPP2 Q13822 1/20 0.37
AVPR1A P37288 1/20 0.35
PIK3CG P48736 1/20 0.34
GRM4 Q14833 2/20 0.34
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
LCAT P04180 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL736248 0.85 SIGMAR1 (0.48) OPRM1SIGMAR1MLLT1OPRL1ENPP2
SCHEMBL737008 0.84 SIGMAR1 (0.42) OPRM1SIGMAR1KCNJ1KCNH2HTT
SCHEMBL737605 0.84 SIGMAR1 (0.46) OPRM1SIGMAR1HTTSMN1; SMN2
SCHEMBL736253 0.83 SIGMAR1 (0.39) OPRM1SIGMAR1KCNJ1KCNH2LCAT
SCHEMBL736045 0.82 CHRNB2 (0.44) OPRM1SIGMAR1OPRL1CHRNB2CHRNA4
SCHEMBL737780 0.82 CHRNB2 (0.41) OPRM1OPRL1CHRNB2CHRNA4AVPR1A
SCHEMBL736553 0.82 OXTR (0.41) AVPR1A
SCHEMBL736875 0.82 HRH3 (0.46) OPRM1SIGMAR1KCNH2
SCHEMBL737578 0.81 HRH3 (0.47) OPRM1SIGMAR1KCNH2
SCHEMBL737585 0.81 HRH3 (0.42) AVPR1A

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 15/4885SIGMAR1 11/4885MLLT1 1001/4885

“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.