SCHEMBL5097184

SCHEMBL5097184

CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.54
USP30 Q70CQ3 1/20 0.50
MC4R P32245 2/20 0.49
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 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
SCHEMBL21892098 1.00 RORC (0.54) RORCUSP30MC4RCHRM2CHRM4
SCHEMBL3025628 1.00 RORC (0.54) RORCUSP30MC4RCHRM2CHRM4
SCHEMBL2780389 1.00 RORC (0.54) RORCUSP30MC4RCHRM2CHRM4
SCHEMBL5097178 1.00 RORC (0.54) RORCUSP30MC4RCHRM2CHRM4
SCHEMBL7887604 0.93 RORC (0.55) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL5839366 0.93 RORC (0.55) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL3449300 0.93 RORC (0.55) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL1891481 0.92 RORC (0.55) RORCUSP30MC4RCHRM2CHRM4
SCHEMBL2782549 0.90 SLC18A2 (0.53) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL6594128 0.90 RORC (0.53) RORCUSP30CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
EP-2068878-B1 RHO KINASE INHIBITORS AERIE PHARMACEUTICALS INC (US) 2019-04-10 EP disclosed
US-20180344723-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2018-12-06 US disclosed
US-20160243102-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2016-08-25 US disclosed
US-20150297581-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2015-10-22 US disclosed
US-20140357652-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2014-12-04 US disclosed
US-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 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 (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-20160243102-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT RORC 1386/4885USP30 2741/4885MC4R 3572/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT RORC 1386/4885USP30 2741/4885MC4R 3572/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT RORC 1386/4885USP30 2741/4885MC4R 3572/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT RORC 1386/4885USP30 2741/4885MC4R 3572/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT RORC 1386/4885USP30 2741/4885MC4R 3572/4885
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ROCK1, ROCK2, ARHGDIA RORC 2578/4885USP30 4599/4885MC4R 4600/4885

“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.