SCHEMBL736184

SCHEMBL736184

C[C@H]1CCCN(CCCOc2ccc(N3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.56
KCNH2 Q12809 1/20 0.52
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
MAOB P27338 1/20 0.46
OPRM1 P35372 1/20 0.46
SIGMAR1 Q99720 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
SCHEMBL737607 0.88 HRH3 (0.54) HRH3KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL736597 0.88 HRH3 (0.56) HRH3KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL736560 0.82 HRH3 (0.47) HRH3KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL736062 0.81 HRH3 (0.55) HRH3KCNH2ALDH1A1HRH1OPRM1
SCHEMBL736128 0.81 HRH3 (0.47) HRH3KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL738895 0.81 SIGMAR1 (0.52) KCNH2HRH1OPRM1SIGMAR1
SCHEMBL736049 0.80 HRH3 (0.48) HRH3KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL736671 0.80 HRH3 (0.52) HRH3KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL737251 0.80 HRH3 (0.49) HRH3KCNH2KDM4EALDH1A1HRH2
SCHEMBL736994 0.79 ALDH1A1 (0.57) HRH3KCNH2ALDH1A1HRH1OPRM1

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.