SCHEMBL736483

SCHEMBL736483

COc1ccccc1N1CC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.49
KCNH2 Q12809 5/20 0.49
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
LMNA P02545 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.45
NLRP1 Q9C000 1/20 0.45
ACHE P22303 1/20 0.45
DRD4 P21917 2/20 0.44

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
SCHEMBL736759 0.88 HRH3 (0.51) HRH3KCNH2DRD2DRD3ALDH1A1
SCHEMBL736062 0.87 HRH3 (0.55) HRH3KCNH2ALDH1A1MAPTACHE
SCHEMBL736597 0.86 HRH3 (0.56) HRH3KCNH2DRD2DRD3ALDH1A1
SCHEMBL736292 0.85 HRH3 (0.50) HRH3KCNH2DRD2DRD3ALDH1A1
SCHEMBL735508 0.84 HRH3 (0.55) HRH3KCNH2DRD2DRD3LMNA
SCHEMBL738269 0.83 HRH3 (0.50) HRH3KCNH2ALDH1A1MAPTACHE
SCHEMBL736800 0.83 HRH3 (0.49) HRH3KCNH2ALDH1A1MAPTACHE
SCHEMBL737523 0.82 HTR3A (0.51) HRH3KCNH2DRD2DRD3SLC6A4
SCHEMBL736994 0.82 ALDH1A1 (0.57) HRH3KCNH2ALDH1A1MAPT
SCHEMBL737565 0.81 HRH3 (0.54) HRH3KCNH2

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 308/4885DRD2 107/4885

“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.