SCHEMBL736163

SCHEMBL736163

COc1ccc(N2CC3(CCN(c4ccc(OC5CCN(C6CCC6)CC5)nc4)CC3)OCC2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.43
KCNH2 Q12809 1/20 0.42
HRH1 P35367 1/20 0.38
ACACB O00763 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL735563 0.94 HRH3 (0.42) HRH3KCNH2HRH1ACACB
SCHEMBL735317 0.94 HRH3 (0.42) HRH3KCNH2HRH1ACACB
SCHEMBL736044 0.94 HRH3 (0.43) HRH3KCNH2HRH1OXTRAVPR1A
SCHEMBL737285 0.93 HRH3 (0.43) HRH3KCNH2HRH1ACACB
SCHEMBL735806 0.92 HRH3 (0.41) HRH3KCNH2HRH1ACACB
SCHEMBL738085 0.91 HRH3 (0.43) HRH3KCNH2HRH1ACACB
SCHEMBL736553 0.91 OXTR (0.41) HRH3HRH1OXTRAVPR1A
SCHEMBL737439 0.90 HRH3 (0.43) HRH3KCNH2HRH1
SCHEMBL737474 0.90 HRH3 (0.42) HRH3KCNH2HRH1
SCHEMBL736063 0.90 HRH3 (0.43) HRH3KCNH2HRH1ACACB

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 308/4885HRH1 3/4885

“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.