SCHEMBL306547

SCHEMBL306547

CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ CYP2C19 P33261 1/20 0.63
▸ NAMPT P43490 2/20 0.52
▸ HDAC1 Q13547 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ ITGB5 P18084 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL10160238 0.89 ROCK2 (0.74) ROCK2CYP3A4CYP2C19
SCHEMBL6661030 0.83 GLS (0.52) ROCK2CYP3A4NAMPTHDAC1
SCHEMBL14135172 0.83 ROCK2 (0.71) ROCK2CYP3A4CYP2C19
SCHEMBL15888437 0.82 ROCK2 (0.70) ROCK2CYP3A4CYP2C19MAPT
SCHEMBL306324 0.81 ROCK2 (0.78) ROCK2CYP3A4CYP2C19MAPT
SCHEMBL307838 0.81 ROCK2 (0.81) ROCK2CYP3A4CYP2C19
SCHEMBL307464 0.80 ROCK2 (0.76) ROCK2CYP3A4CYP2C19NAMPTHDAC1
SCHEMBL307780 0.80 ROCK2 (0.72) ROCK2CYP3A4CYP2C19TDP1
SCHEMBL307583 0.80 ROCK2 (0.80) ROCK2CYP3A4CYP2C19NAMPT
SCHEMBL307681 0.80 ROCK2 (0.76) ROCK2CYP3A4CYP2C19MAPT

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
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 — — EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 — — US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 ROCK2 4/4885CYP3A4 2048/4885CYP2C19 1265/4885

“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.

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