SCHEMBL738193

SCHEMBL738193

COc1cnc(N2CC3(CCN(c4ccc(OC5CCN(C6CCC6)CC5)nc4)CC3)OC2=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.42
KCNH2 Q12809 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
NPY5R Q15761 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
ACACB O00763 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
SCHEMBL736930 0.92 HRH3 (0.44) HRH3KCNH2
SCHEMBL736099 0.91 HRH3 (0.44) HRH3KCNH2NPY5RACACB
SCHEMBL735806 0.89 HRH3 (0.41) HRH3KCNH2OPRM1OPRL1ACACB
SCHEMBL738389 0.89 HRH3 (0.43) HRH3KCNH2ACACB
SCHEMBL738733 0.88 HRH3 (0.42) HRH3KCNH2NPY5R
SCHEMBL738035 0.88 HRH3 (0.42) HRH3KCNH2NPY5ROPRM1
SCHEMBL738434 0.86 HRH3 (0.45) HRH3KCNH2NPY5RACACB
SCHEMBL738658 0.86 HRH3 (0.41) HRH3KCNH2
SCHEMBL737011 0.85 HRH3 (0.45) HRH3
SCHEMBL736905 0.85 HRH3 (0.45) HRH3KCNH2ACACB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US claimed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP claimed
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 HRH3 2/4885KCNH2 308/4885TRPV4 127/4885

“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.