SCHEMBL735759

SCHEMBL735759

CC(C)Oc1ccc(N2CC3(CCN(c4ccc(OCCCN5CCCC5)cc4)CC3)OCC2=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
KCNH2 Q12809 2/20 0.44
LIPE Q05469 1/20 0.39
OPRM1 P35372 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR3A P46098 3/20 0.39
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
MAPK14 Q16539 2/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 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
SCHEMBL736512 0.99 HRH3 (0.45) HRH3KCNH2LIPEOPRM1SIGMAR1
SCHEMBL735486 0.92 HRH3 (0.44) HRH3KCNH2OPRM1SIGMAR1HTR3A
SCHEMBL736942 0.91 HRH3 (0.45) HRH3KCNH2OPRM1SIGMAR1HTR3A
SCHEMBL736423 0.91 HRH3 (0.42) HRH3KCNH2HRH1ALDH1A1
SCHEMBL736875 0.91 HRH3 (0.46) HRH3KCNH2OPRM1SIGMAR1HTR3A
SCHEMBL737578 0.90 HRH3 (0.47) HRH3KCNH2OPRM1SIGMAR1HTR3A
SCHEMBL738279 0.86 HRH3 (0.47) HRH3KCNH2OPRM1SIGMAR1MEN1
SCHEMBL736566 0.85 HRH3 (0.49) HRH3KCNH2OPRM1SIGMAR1HTR3A
SCHEMBL735777 0.84 HRH3 (0.43) HRH3KCNH2HRH1ALDH1A1
SCHEMBL737981 0.84 HRH3 (0.48) HRH3KCNH2OPRM1SIGMAR1HTR3A

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 308/4885LIPE 4379/4885

“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.