SCHEMBL5097175

SCHEMBL5097175

NC(=O)C(NC1CC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PDGFRA P16234 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
RPS6KA1 Q15418 1/20 0.43
AURKB Q96GD4 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 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
SCHEMBL9282167 0.92 GAA (0.51) OPRM1ALDH1A1HTTMEN1KMT2A
SCHEMBL6794727 0.85 GRM7 (0.51) OPRM1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL3315249 0.85 MEN1 (0.41) OPRM1ALDH1A1HTTMEN1KMT2A
SCHEMBL3313904 0.83 OPRM1 (0.42) OPRM1ALDH1A1HTTMEN1KMT2A
SCHEMBL75350 0.79 KMT2A (0.53) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL15270256 0.79 ALDH1A1 (0.43) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL1411422 0.79 GAA (0.56) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL11076473 0.79 GAA (0.56) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL1410561 0.79 GAA (0.56) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL11349701 0.77 GAA (0.54) ALDH1A1HTTMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO 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 (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 OPRM1 3899/4885ALDH1A1 4263/4885HTT 3547/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT OPRM1 3899/4885ALDH1A1 4263/4885HTT 3547/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT OPRM1 3899/4885ALDH1A1 4263/4885HTT 3547/4885
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 OPRM1 1596/4885ALDH1A1 2595/4885HTT 4184/4885

“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.