SCHEMBL528761

SCHEMBL528761

O=C(O)N1CCC(Nc2cccc3cnccc23)C1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.63
ROCK1 Q13464 11/20 0.59
CCR2 P41597 7/20 0.59

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
SCHEMBL13633468 0.90 ROCK2 (0.62) ROCK2ROCK1CCR2
SCHEMBL4428205 0.89 ROCK2 (0.61) ROCK2ROCK1CCR2
SCHEMBL4428211 0.89 ROCK2 (0.61) ROCK2ROCK1CCR2
SCHEMBL727698 0.87 ROCK2 (0.52) ROCK2ROCK1CCR2
SCHEMBL23360244 0.86 ROCK2 (0.48) ROCK2ROCK1CCR2
SCHEMBL23360612 0.86 ROCK2 (0.48) ROCK2ROCK1CCR2
SCHEMBL23360241 0.86 ROCK2 (0.48) ROCK2ROCK1CCR2
SCHEMBL659539 0.84 ROCK2 (0.54) ROCK2ROCK1CCR2
SCHEMBL10080113 0.84 ROCK2 (0.57) ROCK2ROCK1CCR2
SCHEMBL528598 0.84 ROCK2 (0.54) ROCK2ROCK1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604205-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
US-8604218-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
EP-2597953-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS Inspire Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
US-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2013-01-10 US disclosed
US-8158796-B2 Process for the preparation of Rho-kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2012-02-23 US disclosed
WO-2012015760-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
US-8071779-B2 reduces intraocular pressure; primary open-angle glaucoma; effective to influence the actomyosin interactions by leading to cellular relaxation and alterations in cell-substratum adhesions INSPIRE PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
EP-2291077-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS Inspire Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
US-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-01-28 US disclosed
WO-2009154940-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
EP-2099457-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE Inspire Pharmaceuticals, Inc. (US) 2009-09-16 EP disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US disclosed
WO-2008077057-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
EP-1550660-A1 ISOQUINOLINE DERIVATIVES HAVING KINASAE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-07-06 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 (5 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-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885CCR2 1243/4885
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885CCR2 3233/4885
US-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885CCR2 3120/4885
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885CCR2 3233/4885
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885CCR2 3233/4885

“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.