SCHEMBL737427

SCHEMBL737427

O=C1OC2(CCNCC2)CN1c1cnccn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.48
NPY5R Q15761 11/20 0.45
OPRM1 P35372 2/20 0.39
OPRL1 P41146 1/20 0.39
KCNH2 Q12809 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
ADRA1A P35348 1/20 0.35

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
SCHEMBL736355 0.82 OPRM1 (0.38) GRM5NPY5ROPRM1OPRL1KCNH2
SCHEMBL3740498 0.81 NPY5R (0.54) GRM5NPY5ROPRM1KCNH2SIGMAR1
SCHEMBL3740493 0.81 NPY5R (0.54) GRM5NPY5ROPRM1KCNH2SIGMAR1
SCHEMBL738190 0.81 NPY5R (0.52) GRM5NPY5RKCNH2ADRA1A
SCHEMBL3747805 0.80 NPY5R (0.51) GRM5NPY5ROPRM1KCNH2SIGMAR1
SCHEMBL3747807 0.80 NPY5R (0.51) GRM5NPY5ROPRM1KCNH2SIGMAR1
SCHEMBL3743258 0.79 NPY5R (0.48) GRM5NPY5ROPRM1KCNH2SIGMAR1
SCHEMBL3743255 0.79 NPY5R (0.48) GRM5NPY5ROPRM1KCNH2SIGMAR1
SCHEMBL736419 0.76 GRM5 (0.52) GRM5NPY5R
SCHEMBL738186 0.76 NPY5R (0.44) GRM5NPY5ROPRM1KCNH2SIGMAR1

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 GRM5 263/4885NPY5R 385/4885OPRM1 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.