SCHEMBL736597

SCHEMBL736597

O=C1OC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)CN1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.56
KCNH2 Q12809 3/20 0.56
SIGMAR1 Q99720 4/20 0.55
OPRM1 P35372 1/20 0.55
HRH1 P35367 5/20 0.51
HTR1A P08908 3/20 0.50
DRD2 P14416 3/20 0.50
HTR2A P28223 3/20 0.50
DRD3 P35462 3/20 0.50
TMEM97 Q5BJF2 3/20 0.50
HRH2 P25021 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL736062 0.91 HRH3 (0.55) HRH3KCNH2SIGMAR1OPRM1HRH1
SCHEMBL735508 0.91 HRH3 (0.55) HRH3KCNH2SIGMAR1HRH1HTR1A
SCHEMBL736994 0.91 ALDH1A1 (0.57) HRH3KCNH2SIGMAR1OPRM1HRH1
SCHEMBL737565 0.90 HRH3 (0.54) HRH3KCNH2HRH1HRH2
SCHEMBL736339 0.89 HRH3 (0.50) HRH3KCNH2SIGMAR1OPRM1HRH1
SCHEMBL736292 0.89 HRH3 (0.50) HRH3KCNH2SIGMAR1OPRM1DRD2
SCHEMBL737491 0.89 HRH3 (0.52) HRH3KCNH2SIGMAR1OPRM1HRH1
SCHEMBL737523 0.88 HTR3A (0.51) HRH3KCNH2HRH1HTR1ADRD2
SCHEMBL736759 0.88 HRH3 (0.51) HRH3KCNH2SIGMAR1OPRM1HRH1
SCHEMBL736184 0.88 HRH3 (0.56) HRH3KCNH2SIGMAR1OPRM1HRH1

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 308/4885SIGMAR1 11/4885

“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.