SCHEMBL737394

SCHEMBL737394

O=C1COC2(CCN(c3ccc(OCCCN4CCCC4)cc3)CC2)CN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.54
APP P05067 1/20 0.54
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SIGMAR1 Q99720 4/20 0.47
OPRM1 P35372 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
DRD3 P35462 1/20 0.45
TMEM97 Q5BJF2 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
SCHEMBL738817 0.99 HRH3 (0.55) HRH3APPKCNH2ALDH1A1GAA
SCHEMBL736671 0.89 HRH3 (0.52) HRH3KCNH2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL738054 0.86 SIGMAR1 (0.58) HRH3KCNH2ALDH1A1SIGMAR1OPRM1
SCHEMBL738126 0.86 HRH3 (0.55) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL737194 0.86 SIGMAR1 (0.50) HRH3ALDH1A1MAPTSIGMAR1OPRM1
SCHEMBL737034 0.85 SIGMAR1 (0.57) HRH3KCNH2ALDH1A1SIGMAR1OPRM1
SCHEMBL738087 0.83 HRH3 (0.58) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL735778 0.80 HRH3 (0.49) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL737660 0.80 HRH3 (0.49) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL737958 0.80 HRH3 (0.51) HRH3KCNH2MAPTSIGMAR1OPRM1

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 2/4885APP 4001/4885KCNH2 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.