SCHEMBL736940

SCHEMBL736940

C[C@H]1CCCN1CCCOc1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.52
KCNH2 Q12809 1/20 0.49
OPRM1 P35372 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
HTR3A P46098 1/20 0.45

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
SCHEMBL736564 0.93 HRH3 (0.47) HRH3KCNH2HTR3A
SCHEMBL736376 0.92 HRH3 (0.47) HRH3KCNH2SIGMAR1HTR3A
SCHEMBL735208 0.92 HRH3 (0.54) HRH3KCNH2
SCHEMBL737409 0.92 HRH3 (0.58) HRH3KCNH2HTR3A
SCHEMBL735279 0.90 HRH3 (0.51) HRH3KCNH2HTR3A
SCHEMBL738314 0.90 HRH3 (0.51) HRH3KCNH2HTR3A
SCHEMBL738400 0.90 HRH3 (0.45) HRH3KCNH2HTR3A
SCHEMBL737531 0.90 HRH3 (0.46) HRH3KCNH2
SCHEMBL737452 0.90 HRH3 (0.54) HRH3KCNH2HTR3A
SCHEMBL736594 0.89 HRH3 (0.51) HRH3KCNH2HTR3A

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 2/4885KCNH2 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.