SCHEMBL356739

SCHEMBL356739

CC(C)c1noc(-c2ccc(N3CCNCC3)c(C#N)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.56
POLB P06746 1/20 0.49
S1PR1 P21453 11/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
S1PR3 Q99500 3/20 0.43
KCNH2 Q12809 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
OPRL1 P41146 1/20 0.39
USP30 Q70CQ3 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39

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
SCHEMBL354800 0.85 TP53 (0.47) NPY2RPOLBS1PR1S1PR3
SCHEMBL355952 0.80 POLB (0.49) NPY2RPOLBMAOAMAOBUSP30
SCHEMBL20883645 0.73 ALDH1A1 (0.47) OPRL1ROCK2ROCK1CDC42BPB
SCHEMBL354519 0.68 NPY2R (0.52) NPY2RPOLBOPRL1
SCHEMBL20883839 0.68 HTR3A (0.52) ROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL355157 0.68 NPY2R (0.52) NPY2RPOLBOPRL1
SCHEMBL1964911 0.67 S1PR1 (0.52) POLBS1PR1
SCHEMBL12505995 0.66 GPR119 (0.62) MAOAMAOBGPR119
SCHEMBL21561036 0.66 ALDH1A1 (0.51) OPRL1ROCK2ROCK1CDC42BPB
SCHEMBL2123360 0.66 S1PR1 (0.61) S1PR1S1PR3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-01-19 US 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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R NPY2R 1/4885POLB 4536/4885S1PR1 301/4885

“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.