SCHEMBL736292

SCHEMBL736292

COc1cccc(N2CC3(CCN(c4ccc(OCCCN5CCCCC5)cc4)CC3)OC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.50
KCNH2 Q12809 5/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ACHE P22303 1/20 0.45
OPRM1 P35372 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SSTR5 P35346 1/20 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
SCHEMBL736062 0.92 HRH3 (0.55) HRH3KCNH2ALDH1A1POLBMAPT
SCHEMBL736339 0.90 HRH3 (0.50) HRH3KCNH2DRD2DRD3OPRM1
SCHEMBL736597 0.89 HRH3 (0.56) HRH3KCNH2KDM4EALDH1A1DRD2
SCHEMBL736452 0.88 KDM4E (0.48) HRH3KCNH2KDM4EALDH1A1KMT2A
SCHEMBL738269 0.86 HRH3 (0.50) HRH3KCNH2ALDH1A1POLBMAPT
SCHEMBL736800 0.85 HRH3 (0.49) HRH3KCNH2ALDH1A1POLBMAPT
SCHEMBL736483 0.85 HRH3 (0.49) HRH3KCNH2ALDH1A1DRD2DRD3
SCHEMBL735508 0.84 HRH3 (0.55) HRH3KCNH2KMT2ADRD2DRD3
SCHEMBL736994 0.84 ALDH1A1 (0.57) HRH3KCNH2ALDH1A1MAPTOPRM1
SCHEMBL737565 0.84 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 308/4885KDM4E 1039/4885

“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.