SCHEMBL737523

SCHEMBL737523

O=C1OC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)CN1c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.51
HRH3 Q9Y5N1 10/20 0.51
KCNH2 Q12809 4/20 0.51
DRD3 P35462 4/20 0.46
HTR1A P08908 4/20 0.46
HTR2A P28223 4/20 0.46
HTR7 P34969 3/20 0.46
DRD2 P14416 3/20 0.46
HRH1 P35367 3/20 0.46
DRD1 P21728 2/20 0.46
ADRA2C P18825 1/20 0.46
DRD5 P21918 1/20 0.46
NPY5R Q15761 1/20 0.46
DRD4 P21917 2/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL736597 0.88 HRH3 (0.56) HRH3KCNH2DRD3HTR1AHTR2A
SCHEMBL737660 0.88 HRH3 (0.49) HTR3AHRH3KCNH2DRD3HTR1A
SCHEMBL738426 0.87 HRH3 (0.48) HTR3AHRH3KCNH2DRD3HTR1A
SCHEMBL737565 0.86 HRH3 (0.54) HRH3KCNH2HRH1
SCHEMBL738783 0.86 HRH3 (0.49) HRH3KCNH2DRD3HTR1AHTR2A
SCHEMBL736759 0.84 HRH3 (0.51) HRH3KCNH2DRD3HTR1AHTR2A
SCHEMBL736994 0.83 ALDH1A1 (0.57) HRH3KCNH2HRH1
SCHEMBL735508 0.83 HRH3 (0.55) HRH3KCNH2DRD3HTR1AHTR2A
SCHEMBL736062 0.83 HRH3 (0.55) HRH3KCNH2HTR1AHRH1
SCHEMBL736483 0.82 HRH3 (0.49) HRH3KCNH2DRD3DRD2DRD4

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 HTR3A 193/4885HRH3 2/4885KCNH2 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.