SCHEMBL737812

SCHEMBL737812

CC(C)N1CCC(Oc2ccc(N3CCC(O)(CN)CC3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.44
ACACB O00763 10/20 0.44
LCAT P04180 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
SCHEMBL735976 0.84 HRH3 (0.54) HRH3
SCHEMBL736475 0.84 HRH3 (0.45) HRH3ACACBLCAT
SCHEMBL736689 0.78 HRH3 (0.55) HRH3ACACB
SCHEMBL736893 0.77 HRH3 (0.48) HRH3ACACBLCAT
SCHEMBL12367593 0.75 HRH3 (0.49) HRH3ACACB
SCHEMBL736428 0.72 HRH3 (0.56) HRH3
SCHEMBL737333 0.71 HRH3 (0.42) HRH3ACACB
SCHEMBL20147462 0.70 HRH3 (0.54) HRH3
SCHEMBL738624 0.70 HRH3 (0.41) HRH3ACACB
SCHEMBL20147458 0.70 HRH3 (0.56) HRH3

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 HRH3 2/4885ACACB 4580/4885LCAT 4807/4885

“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.