SCHEMBL736096

SCHEMBL736096

CC(C)N1CCC(Oc2ccc(N3CCC4(CC3)CN(c3cncc(C#N)c3)C(=O)O4)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.40
HRH3 Q9Y5N1 3/20 0.38
SSTR5 P35346 2/20 0.38
KCNH2 Q12809 2/20 0.37
NPY5R Q15761 2/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
AR P10275 3/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL737337 0.91 HRH3 (0.48) TRPV4HRH3SSTR5KCNH2NPY5R
SCHEMBL735899 0.89 HRH3 (0.40) TRPV4HRH3KCNH2NPY5RPIK3CD
SCHEMBL737333 0.84 HRH3 (0.42) HRH3SSTR5KCNH2NPY5RAR
SCHEMBL738624 0.82 HRH3 (0.41) HRH3SSTR5KCNH2NPY5R
SCHEMBL737371 0.82 HRH3 (0.41) HRH3SSTR5KCNH2NPY5R
SCHEMBL735513 0.81 HRH3 (0.47) HRH3KCNH2PIK3CDPIK3CA
SCHEMBL739185 0.79 HRH3 (0.44) HRH3SSTR5PIK3CDPIK3CAHSD11B1
SCHEMBL736058 0.79 HRH3 (0.44) HRH3SSTR5PIK3CDPIK3CA
SCHEMBL736468 0.79 HRH3 (0.41) HRH3KCNH2AR
SCHEMBL738114 0.78 HRH3 (0.46) TRPV4HRH3KCNH2NPY5RPIK3CD

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-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 TRPV4 127/4885HRH3 2/4885SSTR5 1096/4885

“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.