SCHEMBL5097508

SCHEMBL5097508

NC(=O)C(NCC1CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR2 P34972 4/20 0.45
F10 P00742 3/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
GPR88 Q9GZN0 1/20 0.41
PTGIR P43119 1/20 0.41

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
SCHEMBL28386158 0.87 MEN1 (0.49) MEN1KMT2ANPSR1F10F2
SCHEMBL29052885 0.82 ALDH1A1 (0.56) GPR88
SCHEMBL29052887 0.82 ALDH1A1 (0.56) GPR88
SCHEMBL10332377 0.78 EPHX1 (0.46) NPSR1CNR2
SCHEMBL4423651 0.77 CACNA2D1 (0.45) MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL19712558 0.76 CACNA2D1 (0.44) MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL3457238 0.76 CACNA2D1 (0.44) MEN1KMT2ANPSR1
SCHEMBL20815694 0.75 CACNA2D1 (0.49) MEN1KMT2ANPSR1F10
SCHEMBL1491510 0.75 MEN1 (0.48) MEN1KMT2ANPSR1F10F2
SCHEMBL1491508 0.75 MEN1 (0.48) MEN1KMT2ANPSR1F10F2

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 MEN1 3639/4885KMT2A 3349/4885NPSR1 4404/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT MEN1 3639/4885KMT2A 3349/4885NPSR1 4404/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT MEN1 3639/4885KMT2A 3349/4885NPSR1 4404/4885
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 MEN1 2638/4885KMT2A 3397/4885NPSR1 2603/4885

“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.