SCHEMBL736553

SCHEMBL736553

COc1ccc(N2CC3(CCN(c4ccc(OC5CCN(C6CC6)CC5)cc4)CC3)OCC2=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
PIK3CD O00329 5/20 0.39
PIK3CA P42336 5/20 0.39
HRH3 Q9Y5N1 12/20 0.39
CHRM4 P08173 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL736044 0.98 HRH3 (0.43) OXTRAVPR1AHRH3HRH1
SCHEMBL736163 0.91 HRH3 (0.43) OXTRAVPR1AHRH3HRH1
SCHEMBL737585 0.90 HRH3 (0.42) OXTRAVPR1APIK3CDPIK3CAHRH3
SCHEMBL737780 0.90 CHRNB2 (0.41) OXTRAVPR1APIK3CDPIK3CACHRM4
SCHEMBL736238 0.89 ACACB (0.44) HRH3HRH1
SCHEMBL736550 0.88 HRH3 (0.43) HRH3HRH1
SCHEMBL736589 0.88 HRH3 (0.42) HRH3HRH1
SCHEMBL735563 0.88 HRH3 (0.42) HRH3HRH1
SCHEMBL735700 0.87 HRH3 (0.45) HRH3HRH1
SCHEMBL736570 0.87 HRH3 (0.40) HRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US claimed
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 OXTR 334/4885AVPR1A 200/4885PIK3CD 1937/4885

“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.