SCHEMBL658944

SCHEMBL658944

c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 1.00
ROCK1 Q13464 13/20 0.92
CCR2 P41597 9/20 0.92

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
SCHEMBL224917 0.96 ROCK2 (1.00) ROCK2ROCK1CCR2
Hydrochloric Acid SCHEMBL2457372 0.95 ROCK2 (0.98) ROCK2ROCK1CCR2
Hydrochloric Acid SCHEMBL1716387 0.95 ROCK2 (0.98) ROCK2ROCK1CCR2
Hydrochloric Acid SCHEMBL2457485 0.94 ROCK2 (0.96) ROCK2ROCK1CCR2
SCHEMBL2804629 0.92 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL659846 0.92 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL659847 0.92 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL600089 0.89 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL5409256 0.87 ROCK2 (0.83) ROCK2ROCK1CCR2
SCHEMBL1717251 0.87 ROCK2 (1.00) 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 49 patents — showing the first 20. 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
CN-103254172-A Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS INC 2013-08-21 CN disclosed
US-20130172324-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
US-20130172324-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
US-20130158014-A1 METHOD FOR TREATING DISEASES ASSOCIATED WITH ALTERATIONS IN CELLULAR INTEGRITY USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2013-06-20 US disclosed
US-8410147-B2 Method for treating diseases associated with alterations in cellular integrity using Rho kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-8410147-B2 Method for treating diseases associated with alterations in cellular integrity using Rho kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
CN-101583361-B Cytoskeletal Active RHO Kinase Inhibitor Compounds, Compositions and Uses INSPIRE PHARMACEUTICALS INC 2013-01-23 CN disclosed
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2013-01-10 US disclosed
US-20090325960-A1 METHOD FOR TREATING INFLAMMATORY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090325960-A1 METHOD FOR TREATING INFLAMMATORY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090325934-A1 METHOD FOR TREATING NEUROLOGICAL AND NEUROPATHIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090325934-A1 METHOD FOR TREATING NEUROLOGICAL AND NEUROPATHIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
WO-2009158587-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
CN-101583361-A Cytoskeletal Active RHO Kinase Inhibitor Compounds, Compositions and Uses INSPIRE PHARMACEUTICALS INC (US) 2009-11-18 CN disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20090325960-A1 METHOD FOR TREATING INFLAMMATORY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885CCR2 162/4885
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885CCR2 3233/4885
US-20130158014-A1 METHOD FOR TREATING DISEASES ASSOCIATED WITH ALTERATIONS IN CELLULAR INTEGRITY USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885CCR2 2493/4885
US-20130172324-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885CCR2 1028/4885
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885CCR2 3233/4885
US-20090325934-A1 METHOD FOR TREATING NEUROLOGICAL AND NEUROPATHIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885CCR2 642/4885

“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.