SCHEMBL737491

SCHEMBL737491

O=C1OC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)CN1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.52
KCNH2 Q12809 2/20 0.52
ADRA1A P35348 1/20 0.47
NPY5R Q15761 1/20 0.47
SSTR5 P35346 4/20 0.46
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
OPRM1 P35372 1/20 0.42
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MAPK14 Q16539 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
SCHEMBL735508 0.90 HRH3 (0.55) HRH3KCNH2SSTR5SIGMAR1CYP3A4
SCHEMBL736597 0.89 HRH3 (0.56) HRH3KCNH2ALDH1A1SIGMAR1OPRM1
SCHEMBL736994 0.88 ALDH1A1 (0.57) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL736062 0.88 HRH3 (0.55) HRH3KCNH2SSTR5ALDH1A1GAA
SCHEMBL737565 0.87 HRH3 (0.54) HRH3KCNH2HRH1
SCHEMBL737606 0.86 HRH3 (0.48) HRH3KCNH2SSTR5ALDH1A1GAA
SCHEMBL737434 0.85 HRH3 (0.51) HRH3KCNH2SSTR5ALDH1A1GAA
SCHEMBL736339 0.84 HRH3 (0.50) HRH3KCNH2ADRA1ANPY5RSSTR5
SCHEMBL736174 0.83 HRH3 (0.49) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL738117 0.83 HRH3 (0.49) HRH3KCNH2ALDH1A1GAAMAPT

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 2/4885KCNH2 308/4885ADRA1A 103/4885

“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.