SCHEMBL4896495

SCHEMBL4896495

C[C@@H](CN(CCCO)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
BACE1 P56817 6/20 0.48
CTSK P43235 5/20 0.43
CCR6 P51684 1/20 0.42
PAX8 Q06710 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELANE P08246 1/20 0.40

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
SCHEMBL1554884 1.00 SYK (0.48) SYKBACE1CTSKCCR6PAX8
SCHEMBL4896500 0.97 SYK (0.47) SYKBACE1CTSKCCR6PAX8
SCHEMBL4891550 0.94 SYK (0.50) SYKBACE1CTSKATMCTSL
SCHEMBL15003939 0.92 SYK (0.51) SYKBACE1CTSKCTSLCTSS
SCHEMBL15316174 0.92 SYK (0.51) SYKBACE1CTSKCTSLCTSS
SCHEMBL14256999 0.89 SYK (0.52) SYKBACE1CTSKATMCTSL
SCHEMBL14990389 0.86 BACE1 (0.46) SYKBACE1CTSKATMMAPT
SCHEMBL5729333 0.86 SYK (0.51) SYKBACE1CTSKATMCTSL
SCHEMBL4890767 0.86 BACE1 (0.44) SYKBACE1CTSKATMMAPT
SCHEMBL8693569 0.85 SYK (0.50) SYKBACE1CTSKATMCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540344-B2 Production method for isoquinoline derivatives and salts thereof KOWA CO., LTD. (JP) 2017-01-10 US disclosed
US-9540344-B2 Production method for isoquinoline derivatives and salts thereof KOWA CO., LTD. (JP) 2017-01-10 US disclosed
US-9045460-B2 Production method for isoquinoline derivatives and salts thereof KOWA CO., LTD. (JP) 2015-06-02 US disclosed
US-9045460-B2 Production method for isoquinoline derivatives and salts thereof KOWA CO., LTD. (JP) 2015-06-02 US disclosed
US-20150087824-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF KOWA CO., LTD. (JP) 2015-03-26 US disclosed
US-20150087824-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF KOWA CO., LTD. (JP) 2015-03-26 US disclosed
EP-2818463-A1 Production method of 1,4-diazepane derivatives Kowa Co., Ltd. (JP) 2014-12-31 EP disclosed
EP-2610252-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF Kowa Co., Ltd. (JP) 2013-07-03 EP disclosed
US-20130144054-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF KOWA CO., LTD. (JP) 2013-06-06 US disclosed
US-20130144054-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF KOWA CO., LTD. (JP) 2013-06-06 US disclosed
US-20080064681-A1 Therapeutic agent for treating glaucoma D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2008-03-13 US disclosed
US-20080064681-A1 Therapeutic agent for treating glaucoma D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2008-03-13 US disclosed
US-20070088021-A1 4-haloisoquinoline derivative and drug containing the same D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2007-04-19 US disclosed
US-20070088021-A1 4-haloisoquinoline derivative and drug containing the same D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2007-04-19 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-20130144054-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF NOS2, NOS3, NOS1 SYK 2477/4885BACE1 1409/4885CTSK 1583/4885
US-20080064681-A1 Therapeutic agent for treating glaucoma PDE6G, PDE3A, PDE5A SYK 4481/4885BACE1 3546/4885CTSK 852/4885
US-20070088021-A1 4-haloisoquinoline derivative and drug containing the same ROCK1, CIT, ROCK2 SYK 1166/4885BACE1 3857/4885CTSK 2568/4885
US-20150087824-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF NOS2, NOS3, NOS1 SYK 2477/4885BACE1 1409/4885CTSK 1583/4885

“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.