SCHEMBL321353

SCHEMBL321353

N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(C(=O)O)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 0.68
▸ HTT P42858 1/20 0.53
▸ GRIN2B Q13224 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
SCHEMBL321354 1.00 ROCK2 (0.68) ROCK2HTTGRIN2B
SCHEMBL320865 0.91 ROCK2 (0.62) ROCK2HTT
SCHEMBL320866 0.91 ROCK2 (0.62) ROCK2HTT
SCHEMBL321263 0.89 ROCK2 (0.68) ROCK2HTT
SCHEMBL321262 0.89 ROCK2 (0.68) ROCK2HTT
SCHEMBL10311054 0.82 ROCK2 (1.00) ROCK2
SCHEMBL10070341 0.82 ROCK2 (1.00) ROCK2
SCHEMBL10070334 0.82 ROCK2 (1.00) ROCK2
SCHEMBL10069803 0.82 ROCK2 (1.00) ROCK2
SCHEMBL10070331 0.82 ROCK2 (1.00) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 — — EP disclosed
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 — — EP disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 — — US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 — — US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 — — US disclosed
EP-2590942-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 — — EP disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 — — US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 — — US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 — — US disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 — — WO disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 — — WO 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885HTT 2596/4885GRIN2B 3884/4885

“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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