SCHEMBL735848

SCHEMBL735848

O=C1COC2(CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)CC2)CN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.50
SIGMAR1 Q99720 3/20 0.48
OPRM1 P35372 2/20 0.48
KCNH2 Q12809 7/20 0.44
HRH1 P35367 2/20 0.43
CYP2D6 P10635 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL737843 0.92 HRH3 (0.52) HRH3KCNH2HRH1CYP2D6
SCHEMBL738185 0.92 HRH3 (0.47) HRH3KCNH2HRH1CYP2D6ADRA1A
SCHEMBL737704 0.90 HRH3 (0.44) HRH3KCNH2HRH1ADRA1A
SCHEMBL736171 0.89 HRH3 (0.57) HRH3KCNH2HRH1CYP2D6
SCHEMBL738432 0.87 HRH3 (0.44) HRH3KCNH2HRH1
SCHEMBL737143 0.87 FASN (0.47) HRH3KCNH2HRH1
SCHEMBL735700 0.86 HRH3 (0.45) HRH3KCNH2HRH1
SCHEMBL737202 0.86 HRH3 (0.42) HRH3KCNH2HRH1
SCHEMBL737500 0.86 HRH3 (0.42) HRH3KCNH2HRH1
SCHEMBL736550 0.85 HRH3 (0.43) HRH3KCNH2HRH1

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 5 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
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 2/4885SIGMAR1 11/4885OPRM1 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.