SCHEMBL735868

SCHEMBL735868

C[C@@H]1CCCN1CCCOc1ccc(N2CCC3(CC2)CNC(=O)O3)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.55
KCNH2 Q12809 3/20 0.50
HTR3A P46098 2/20 0.50
CHRM2 P08172 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL737286 0.88 HRH3 (0.52) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL736356 0.88 HRH3 (0.52) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL737181 0.82 HRH3 (0.50) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL737561 0.82 HRH3 (0.62) HRH3KCNH2CHRM2
SCHEMBL736594 0.81 HRH3 (0.51) HRH3KCNH2HTR3A
SCHEMBL739102 0.81 HRH3 (0.51) HRH3KCNH2HTR3A
SCHEMBL736582 0.79 HRH3 (0.62) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL735921 0.79 HRH3 (0.49) HRH3KCNH2HTR3A
SCHEMBL738464 0.79 HRH3 (0.49) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL738031 0.78 HRH3 (0.48) HRH3KCNH2HTR3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 308/4885HTR3A 193/4885

“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.