SCHEMBL735864

SCHEMBL735864

O=C1COC2(CCN(c3ccc(OCCCN4CCCC4)cc3)CC2)CN1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.56
KCNH2 Q12809 1/20 0.56
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPK14 Q16539 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
SCHEMBL737227 0.99 HRH3 (0.58) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL737576 0.88 HRH3 (0.50) HRH3KCNH2ALDH1A1MAOBHRH1
SCHEMBL764288 0.87 LRRK2 (0.44) HRH3KCNH2ALDH1A1MAPTDRD2
SCHEMBL737561 0.85 HRH3 (0.62) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL737286 0.84 HRH3 (0.52) HRH3KCNH2
SCHEMBL736356 0.84 HRH3 (0.52) HRH3KCNH2
SCHEMBL738087 0.80 HRH3 (0.58) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL735914 0.79 MMP13 (0.45) ALDH1A1MAPTMAOB
SCHEMBL738812 0.79 HTR3E (0.46) ALDH1A1MAPTHTR1ADRD2DRD3
SCHEMBL738054 0.78 SIGMAR1 (0.58) HRH3KCNH2ALDH1A1HTR1ADRD2

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.