Sugi Predict

Sugi Predict / Compounds / SCHEMBL2329950

SCHEMBL2329950

SCHEMBL2329950

O=C(O)c1cccc2c1CCNC2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CD44 P16070 2/20 0.54
▸ PRCP P42785 1/20 0.46
▸ PNMT P11086 3/20 0.46
▸ MAOB P27338 1/20 0.46
▸ TRPA1 O75762 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ SLC6A1 P30531 1/20 0.38
▸ SLC6A13 Q9NSD5 1/20 0.38

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
SCHEMBL30744757 1.00 CD44 (0.54) CD44PRCPPNMTMAOBTRPA1
SCHEMBL5087669 0.88 PNMT (0.56) CD44PRCPPNMTMAOB
SCHEMBL29801575 0.88 PNMT (0.56) CD44PRCPPNMTMAOB
Hydrochloric Acid SCHEMBL17822916 0.86 PNMT (0.54) CD44PRCPPNMTMAOB
SCHEMBL17559798 0.86 PRCP (0.51) CD44PRCPPNMTMAOBTSHR
SCHEMBL27901033 0.85 CD44 (0.57) CD44PNMTMAOBTRPA1ALOX15
SCHEMBL30314450 0.85 CD44 (0.57) CD44PNMTMAOBTRPA1ALOX15
SCHEMBL1817879 0.84 ALDH1A1 (0.43) CD44PRCPPNMTTRPA1ALDH1A1
SCHEMBL29662964 0.84 ALDH1A1 (0.43) CD44PRCPPNMTTRPA1ALDH1A1
SCHEMBL2355554 0.81 CD44 (0.49) CD44PNMTMAOBTRPA1ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658861-A A kind of synthetic method of 1- oxygen -1,2,3,4- tetrahydroisoquinoline -5- formic acid 成都福柯斯医药技术有限公司 2018-10-16 — — CN claimed
US-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 — — US claimed
CN-101501036-B Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA 2013-04-17 — — CN claimed
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 — — EP claimed
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 claimed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 — — WO claimed
CN-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 — — CN disclosed
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 — — US disclosed
CN-110177786-A Pyrazolo [1,5-A] pyridine compounds being substituted are as RET kinase inhibitor 阿雷生物药品公司 2019-08-27 — — CN 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
CN-108658861-A A kind of synthetic method of 1- oxygen -1,2,3,4- tetrahydroisoquinoline -5- formic acid 成都福柯斯医药技术有限公司 2018-10-16 — — CN disclosed
CN-107001278-A Tetrahydro isoquinoline derivative UCB生物制药私人有限公司 2017-08-01 — — CN disclosed
CN-101501036-B Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA 2013-04-17 — — CN disclosed
CN-101790514-B 1-oxo-isoindoline-4-carboxamide and 1-oxo-1, 2,3, 4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2012-12-19 — — CN disclosed
WO-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 — — WO disclosed
CN-101790514-A 1-oxo-isoindoline-4-carboxamide and 1-oxo-1, 2,3, 4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2010-07-28 — — CN disclosed
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 — — EP 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
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 — — WO 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 (3 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-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT CD44 4875/4885PRCP 2014/4885PNMT 2733/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT CD44 4875/4885PRCP 2014/4885PNMT 2733/4885
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 CD44 4718/4885PRCP 3932/4885PNMT 1536/4885

“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.