SCHEMBL4477690

SCHEMBL4477690

CC(C)(C)OC(=O)N1CCCC(Nc2cccc3cnccc23)C1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.56
ROCK1 Q13464 4/20 0.56
CCR2 P41597 1/20 0.53

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
SCHEMBL528598 0.94 ROCK2 (0.54) ROCK2ROCK1CCR2
SCHEMBL659539 0.94 ROCK2 (0.54) ROCK2ROCK1CCR2
SCHEMBL1351433 0.89 USP30 (0.55) ROCK2ROCK1
SCHEMBL5662572 0.88 ROCK2 (0.58) ROCK2ROCK1CCR2
SCHEMBL29862650 0.88 ROCK2 (0.58) ROCK2ROCK1CCR2
SCHEMBL1509605 0.85 ROCK2 (0.49) ROCK2ROCK1CCR2
SCHEMBL5665496 0.84 CYP2C9 (0.53) ROCK2ROCK1
SCHEMBL1509653 0.84 ROCK2 (0.48) ROCK2ROCK1CCR2
SCHEMBL1509607 0.84 ROCK2 (0.48) ROCK2ROCK1CCR2
SCHEMBL29136079 0.82 USP30 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723724-B2 Compounds for treating degenerative diseases of central nervous system or brain tumor, and uses thereof SUN YAT-SEN UNIVERSITY (CN) 2020-07-28 US disclosed
US-20190202817-A1 COMPOUNDS FOR TREATING DEGENERATIVE DISEASES OF CENTRAL NERVOUS SYSTEM OR BRAIN TUMOR, AND USES THEREOF SUN YAT-SEN UNIVERSITY (CN) 2019-07-04 US disclosed
EP-2914590-B1 NOVEL ROCK INHIBITORS PH PHARMA CO LTD (KR) 2016-11-30 EP disclosed
US-9394286-B2 Rock inhibitors AMAKEM NV (BE) 2016-07-19 US disclosed
US-20150299173-A1 NOVEL ROCK INHIBTORS AMAKEM NV (BE) 2015-10-22 US disclosed
EP-2914590-A1 NOVEL ROCK INHIBITORS Amakem NV (BE) 2015-09-09 EP disclosed
US-9073905-B2 Rock inhibitors AMAKEM NV (BE) 2015-07-07 US disclosed
WO-2014068035-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2014-05-08 WO disclosed
EP-2702053-A2 NOVEL ROCK INHIBITORS Amakem NV (BE) 2014-03-05 EP disclosed
US-20140057942-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2014-02-27 US disclosed
US-7615564-B2 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
US-7615564-B2 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
US-7615564-B2 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
CN-100354264-C 5-substituted isoquinoline derivatives and drugs containing them ASAHI KASEI PHARMA CORP (JP) 2007-12-12 CN disclosed
US-7094789-B2 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-08-22 US disclosed
US-20060167043-A1 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-07-27 US disclosed
CN-1668600-A 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORP (JP) 2005-09-14 CN disclosed
EP-1550660-A1 ISOQUINOLINE DERIVATIVES HAVING KINASAE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-07-06 EP disclosed
EP-1541559-A1 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2005-06-15 EP disclosed
US-20050020623-A1 5-Substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 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-20140057942-A1 NOVEL ROCK INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885CCR2 1525/4885
US-20050020623-A1 5-Substituted isoquinoline derivatives MYLK, MYLK2, MYL12A ROCK2 158/4885ROCK1 75/4885CCR2 3138/4885
US-20060167043-A1 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same ROCK2, MAP4K5, TNK2 ROCK2 1/4885ROCK1 5/4885CCR2 2249/4885
US-20150299173-A1 NOVEL ROCK INHIBTORS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885CCR2 2141/4885
US-20190202817-A1 COMPOUNDS FOR TREATING DEGENERATIVE DISEASES OF CENTRAL NERVOUS SYSTEM OR BRAIN TUMOR, AND USES THEREOF SGK1, SGK3, SGK2 ROCK2 515/4885ROCK1 457/4885CCR2 2360/4885
US-10723724-B2 Compounds for treating degenerative diseases of central nervous system or brain tumor, and uses thereof SGK1, SGK3, SGK2 ROCK2 515/4885ROCK1 457/4885CCR2 2360/4885

“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.