SCHEMBL737561

SCHEMBL737561

O=C1NCC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)O1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.62
KCNH2 Q12809 1/20 0.62
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK14 Q16539 1/20 0.47
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
DRD1 P21728 1/20 0.46
HRH1 P35367 1/20 0.46
HRH4 Q9H3N8 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
SCHEMBL737227 0.86 HRH3 (0.58) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL735864 0.85 HRH3 (0.56) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL735868 0.82 HRH3 (0.55) HRH3KCNH2CHRM2
SCHEMBL737565 0.79 HRH3 (0.54) HRH3KCNH2HRH1
SCHEMBL736597 0.79 HRH3 (0.56) HRH3KCNH2ALDH1A1HRH1
SCHEMBL736407 0.78 HRH3 (0.58) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL738087 0.78 HRH3 (0.58) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL736994 0.78 ALDH1A1 (0.57) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL736062 0.78 HRH3 (0.55) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL735508 0.78 HRH3 (0.55) HRH3KCNH2LMNADRD1HRH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 308/4885ALDH1A1 1242/4885

“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.