SCHEMBL1974016

SCHEMBL1974016

Cc1ccc(CN2C3CCC2CC(Nc2ccc4[nH]ncc4c2)C3)cc1OCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 1.00
ROCK1 Q13464 6/20 1.00
ARHGDIA P52565 4/20 1.00
CCR2 P41597 1/20 0.47

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
SCHEMBL12592335 0.86 ROCK2 (0.76) ROCK2ROCK1ARHGDIA
SCHEMBL13197470 0.85 ROCK2 (0.91) ROCK2ROCK1ARHGDIACCR2
SCHEMBL10139579 0.85 ROCK2 (0.91) ROCK2ROCK1ARHGDIACCR2
SCHEMBL1974291 0.85 ROCK2 (1.00) ROCK2ROCK1ARHGDIA
SCHEMBL434205 0.84 ROCK2 (1.00) ROCK2ROCK1ARHGDIACCR2
SCHEMBL2801099 0.84 ROCK2 (1.00) ROCK2ROCK1ARHGDIACCR2
SCHEMBL2802556 0.84 ROCK2 (1.00) ROCK2ROCK1ARHGDIACCR2
SCHEMBL1974858 0.82 ROCK2 (1.00) ROCK2ROCK1ARHGDIACCR2
SCHEMBL1977217 0.81 ROCK2 (0.69) ROCK2ROCK1ARHGDIACCR2
SCHEMBL1975225 0.80 ROCK2 (0.67) ROCK2ROCK1ARHGDIACCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476295-B2 Bridged bicyclic RHO kinase inhibitor compounds, composition and use Inspire (US) 2013-07-02 US claimed
US-20110144150-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2011-06-16 US claimed
US-8835457-B2 Bridged bicyclic RHO kinase inhibitor compounds, compositions and use MERCK SHARP & DOHME CORP. (US) 2014-09-16 US disclosed
US-8835457-B2 Bridged bicyclic RHO kinase inhibitor compounds, compositions and use MERCK SHARP & DOHME CORP. (US) 2014-09-16 US disclosed
US-8835457-B2 Bridged bicyclic RHO kinase inhibitor compounds, compositions and use MERCK SHARP & DOHME CORP. (US) 2014-09-16 US disclosed
US-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE MERCK SHARP & DOHME LLC 2013-10-24 US disclosed
US-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE MERCK SHARP & DOHME LLC 2013-10-24 US disclosed
US-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE MERCK SHARP & DOHME LLC 2013-10-24 US disclosed
US-8476295-B2 Bridged bicyclic RHO kinase inhibitor compounds, composition and use Inspire (US) 2013-07-02 US disclosed
US-8476295-B2 Bridged bicyclic RHO kinase inhibitor compounds, composition and use Inspire (US) 2013-07-02 US disclosed
US-8476295-B2 Bridged bicyclic RHO kinase inhibitor compounds, composition and use Inspire (US) 2013-07-02 US disclosed
WO-2011075415-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2011-06-23 WO disclosed
US-20110144150-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2011-06-16 US disclosed
US-20110144150-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2011-06-16 US disclosed
US-20110144150-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2011-06-16 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 (2 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-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885ARHGDIA 6/4885
US-20110144150-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885ARHGDIA 6/4885

“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.