SCHEMBL9909175

SCHEMBL9909175

COC(=O)c1ccc2c(C)cnc(-c3ccc(C#N)cc3OC)c2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.45
EGLN1 Q9GZT9 6/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
HTR5A P47898 1/20 0.39
PLAU P00749 1/20 0.38

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
SCHEMBL12874529 0.89 PLAU (0.48) SCN9AEGLN1ROCK2ROCK1MRGPRX4
SCHEMBL9909283 0.79 PLAU (0.49) SCN9AEGLN1MRGPRX4HTR5APLAU
SCHEMBL9909208 0.77 SCN9A (0.51) SCN9AEGLN1MRGPRX4
SCHEMBL16509518 0.76 CYP11B1 (0.43) SCN9AEGLN1ROCK2ROCK1MRGPRX4
SCHEMBL9909274 0.76 HTR5A (0.47) HTR5A
SCHEMBL9909169 0.76 PDE5A (0.45) SCN9AEGLN1ROCK2ROCK1MRGPRX4
SCHEMBL9909294 0.75 HTR5A (0.59) HTR5APLAU
SCHEMBL9909289 0.74 MEN1 (0.45) SCN9AROCK2ROCK1HTR5APLAU
SCHEMBL9909277 0.74 SCN9A (0.50) SCN9AHTR5A
SCHEMBL16502433 0.74 PLAU (0.49) SCN9AEGLN1ROCK2ROCK1MRGPRX4

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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E SCN9A 412/4885EGLN1 4544/4885ROCK2 658/4885

“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.