SCHEMBL736572

SCHEMBL736572

COc1cncc(N2CC3(CCN(c4ccc(OC5CCN(C(C)C)CC5)cc4)CC3)OCC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.42
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
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
SCHEMBL735513 0.90 HRH3 (0.47) HRH3PIK3CDPIK3CA
SCHEMBL738111 0.89 ACACB (0.43) HRH3PIK3CDPIK3CAACACB
SCHEMBL735206 0.88 HRH3 (0.43) HRH3ACACB
SCHEMBL739185 0.88 HRH3 (0.44) HRH3PIK3CDPIK3CA
SCHEMBL735828 0.88 HRH3 (0.45) HRH3
SCHEMBL737585 0.87 HRH3 (0.42) HRH3PIK3CDPIK3CAACACB
SCHEMBL737473 0.85 HRH3 (0.41) HRH3
SCHEMBL736879 0.84 HRH3 (0.41) HRH3ACACB
SCHEMBL737779 0.84 HRH3 (0.40) HRH3ACACB
SCHEMBL738465 0.83 HRH3 (0.40) HRH3ACACB

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 HRH3 2/4885PIK3CD 1937/4885PIK3CA 3063/4885

“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.