SCHEMBL738087

SCHEMBL738087

CN1CC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)OCC1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.58
KCNH2 Q12809 1/20 0.58
SIGMAR1 Q99720 1/20 0.49
MAPK14 Q16539 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HRH1 P35367 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL738126 0.89 HRH3 (0.55) HRH3KCNH2MAPK14MAPTALDH1A1
SCHEMBL737105 0.88 HRH3 (0.53) HRH3KCNH2SIGMAR1MAPK14MAPT
SCHEMBL737958 0.86 HRH3 (0.51) HRH3KCNH2SIGMAR1MAPTPOLB
SCHEMBL737034 0.86 SIGMAR1 (0.57) HRH3KCNH2SIGMAR1ALDH1A1HRH1
SCHEMBL736599 0.85 HRH3 (0.53) HRH3KCNH2SIGMAR1HRH1
SCHEMBL738054 0.85 SIGMAR1 (0.58) HRH3KCNH2SIGMAR1ALDH1A1HRH1
SCHEMBL738221 0.85 HRH3 (0.50) HRH3KCNH2SIGMAR1MAPK14MAPT
SCHEMBL736251 0.85 HRH3 (0.52) HRH3KCNH2SIGMAR1HRH1
SCHEMBL738817 0.84 HRH3 (0.55) HRH3KCNH2SIGMAR1MAPTALDH1A1
SCHEMBL736452 0.84 KDM4E (0.48) HRH3KCNH2SIGMAR1MAPTALDH1A1

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 5 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
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 308/4885SIGMAR1 11/4885

“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.