SCHEMBL736878

SCHEMBL736878

Cc1ccc(S(=O)(=O)ONc2ccc(OCCCN3CCC[C@H]3C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.50
HTR3A P46098 2/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL736877 0.80 HRH3 (0.52) HRH3
SCHEMBL6727200 0.79 HRH3 (0.63) HRH3KCNH2
SCHEMBL6727199 0.76 HRH3 (0.61) HRH3
SCHEMBL1777113 0.72 HRH3 (0.51) HRH3HTR3AKCNH2
SCHEMBL1179056 0.72 HRH3 (0.67) HRH3HTR3AKCNH2
SCHEMBL4562819 0.72 HRH3 (0.67) HRH3KCNH2
SCHEMBL1372942 0.72 HRH3 (0.67) HRH3KCNH2
SCHEMBL85615 0.72 HRH3 (0.67) HRH3HTR3AKCNH2
SCHEMBL1178972 0.72 HRH3 (0.67) HRH3HTR3AKCNH2
SCHEMBL4467743 0.72 HRH3 (0.67) HRH3HTR3AKCNH2

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
EP-1892241-B1 NOVEL PIPERIDINE DERIVATIVE MSD KK (JP) 2016-03-30 EP disclosed
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

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 2/4885HTR3A 193/4885KCNH2 308/4885

“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.