SCHEMBL738111

SCHEMBL738111

CC(C)N1CCC(Oc2ccc(N3CCC4(CC3)CN(c3cncc(C(F)(F)F)c3)C(=O)CO4)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
KCNH2 Q12809 2/20 0.40
OPRM1 P35372 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
HRH3 Q9Y5N1 13/20 0.38
CCR2 P41597 1/20 0.34

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
SCHEMBL736572 0.89 HRH3 (0.42) ACACBPIK3CDPIK3CAHRH3
SCHEMBL736346 0.88 HRH3 (0.40) ACACBKCNH2OPRM1SIGMAR1PIK3CD
SCHEMBL735513 0.87 HRH3 (0.47) KCNH2PIK3CDPIK3CAHRH3
SCHEMBL737473 0.82 HRH3 (0.41) HRH3
SCHEMBL735206 0.82 HRH3 (0.43) ACACBHRH3
SCHEMBL737779 0.81 HRH3 (0.40) ACACBKCNH2OPRM1SIGMAR1HRH3
SCHEMBL737585 0.81 HRH3 (0.42) ACACBPIK3CDPIK3CAHRH3
SCHEMBL738465 0.80 HRH3 (0.40) ACACBHRH3
SCHEMBL736727 0.80 HRH3 (0.42) OPRM1SIGMAR1HRH3
SCHEMBL736530 0.79 HRH3 (0.47) 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 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 ACACB 4580/4885KCNH2 308/4885OPRM1 15/4885

“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.