SCHEMBL737660

SCHEMBL737660

O=C1COC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)CN1c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.49
KCNH2 Q12809 3/20 0.49
HTR3A P46098 2/20 0.48
HTR1A P08908 4/20 0.45
HTR2A P28223 4/20 0.45
DRD3 P35462 4/20 0.45
HTR7 P34969 3/20 0.45
DRD2 P14416 3/20 0.45
DRD1 P21728 2/20 0.45
HRH1 P35367 2/20 0.45
ADRA2C P18825 1/20 0.45
DRD5 P21918 1/20 0.45
OPRM1 P35372 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
DRD4 P21917 2/20 0.43
HTR2C P28335 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SLC6A4 P31645 1/20 0.42

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
SCHEMBL736049 0.89 HRH3 (0.48) HRH3KCNH2HRH1ALDH1A1
SCHEMBL737187 0.89 HRH3 (0.48) HRH3KCNH2HTR3AHTR1AALDH1A1
SCHEMBL737034 0.88 SIGMAR1 (0.57) HRH3KCNH2HTR1AHTR2ADRD3
SCHEMBL737523 0.88 HTR3A (0.51) HRH3KCNH2HTR3AHTR1AHTR2A
SCHEMBL738054 0.87 SIGMAR1 (0.58) HRH3KCNH2HTR1AHTR2ADRD3
SCHEMBL736251 0.87 HRH3 (0.52) HRH3KCNH2HRH1OPRM1SIGMAR1
SCHEMBL735653 0.86 HRH3 (0.45) HRH3KCNH2HRH1ALDH1A1GAA
SCHEMBL737452 0.85 HRH3 (0.54) HRH3KCNH2HTR3A
SCHEMBL735778 0.84 HRH3 (0.49) HRH3KCNH2HTR1AHTR2ADRD3
SCHEMBL737105 0.84 HRH3 (0.53) HRH3KCNH2HTR1AHRH1OPRM1

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 308/4885HTR3A 193/4885

“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.