SCHEMBL5089681

SCHEMBL5089681

CC(C)NC(C(N)=O)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.52
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP2 P08253 2/20 0.41
CA9 Q16790 2/20 0.41
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ROCK2 O75116 1/20 0.37
DPP4 P27487 1/20 0.37
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
OPRK1 P41145 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL13707882 1.00 EPHX1 (0.52) EPHX1CA12CA1CA2MMP2
SCHEMBL13707900 1.00 EPHX1 (0.52) EPHX1CA12CA1CA2MMP2
SCHEMBL21843801 0.98 EPHX1 (0.48) EPHX1CA12CA1CA2MMP2
SCHEMBL21843799 0.94 EPHX1 (0.43) EPHX1CA12CA1CA2MMP2
SCHEMBL21843793 0.94 EPHX1 (0.43) EPHX1CA12CA1CA2MMP2
SCHEMBL21843796 0.92 ALOX5 (0.41) EPHX1CA12CA1CA2MMP2
SCHEMBL19943506 0.92 ALOX5 (0.41) EPHX1CA12CA1CA2MMP2
SCHEMBL21916662 0.86 EPHX1 (0.53) EPHX1CA12CA1CA2MMP2
SCHEMBL21917406 0.82 TP53 (0.44) EPHX1CA12CA1CA2MMP2
SCHEMBL21917420 0.82 TP53 (0.44) EPHX1CA12CA1CA2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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 EPHX1 832/4885CA12 4885/4885CA1 4843/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT EPHX1 832/4885CA12 4885/4885CA1 4843/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT EPHX1 832/4885CA12 4885/4885CA1 4843/4885
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 EPHX1 248/4885CA12 4857/4885CA1 3336/4885

“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.