SCHEMBL736452

SCHEMBL736452

COc1cccc(N2CC3(CCN(c4ccc(OCCCN5CCCCC5)cc4)CC3)OCC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 7/20 0.48
KCNH2 Q12809 6/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
OPRM1 P35372 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
ACHE P22303 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
SCHEMBL737105 0.92 HRH3 (0.53) ALDH1A1HRH3KCNH2OPRM1SIGMAR1
SCHEMBL737958 0.91 HRH3 (0.51) HRH3KCNH2DRD2OPRM1SIGMAR1
SCHEMBL737260 0.90 HRH3 (0.48) HRH3KCNH2DRD2DRD3OPRM1
SCHEMBL737034 0.89 SIGMAR1 (0.57) KDM4EALDH1A1HRH3KCNH2DRD2
SCHEMBL738054 0.89 SIGMAR1 (0.58) KDM4EALDH1A1HRH3KCNH2DRD2
SCHEMBL736292 0.88 HRH3 (0.50) KDM4EALDH1A1KMT2AHRH3KCNH2
SCHEMBL737035 0.88 HRH3 (0.46) HRH3KCNH2POLBMAPTACHE
SCHEMBL737981 0.86 HRH3 (0.48) ALDH1A1HRH3KCNH2OPRM1SIGMAR1
SCHEMBL737578 0.86 HRH3 (0.47) ALDH1A1HRH3KCNH2OPRM1SIGMAR1
SCHEMBL735653 0.85 HRH3 (0.45) ALDH1A1HRH3KCNH2POLBMAPT

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 KDM4E 1039/4885ALDH1A1 1242/4885KMT2A 825/4885

“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.