SCHEMBL75362

SCHEMBL75362

COC(=O)[C@H](N)Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.55
SLC7A5 Q01650 3/20 0.52
ROCK2 O75116 1/20 0.50
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
STAT1 P42224 1/20 0.47
RAB9A P51151 1/20 0.47
DPP4 P27487 2/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
ROCK1 Q13464 1/20 0.46
MAOB P27338 2/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL5739966 1.00 SLC1A1 (0.55) SLC1A1SLC7A5ROCK2ALDH1A1KDM4E
SCHEMBL6162540 1.00 SLC1A1 (0.55) SLC1A1SLC7A5ROCK2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL75361 0.98 SLC1A1 (0.54) SLC1A1SLC7A5ROCK2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27478280 0.98 SLC1A1 (0.54) SLC1A1SLC7A5ROCK2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL32677237 0.98 SLC1A1 (0.54) SLC1A1SLC7A5ROCK2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6164874 0.98 SLC1A1 (0.54) SLC1A1SLC7A5ROCK2ALDH1A1KDM4E
SCHEMBL7339183 0.87 SLC1A1 (0.54) SLC1A1SLC7A5ROCK2KDM4EGAA
SCHEMBL839832 0.87 SLC1A1 (0.54) SLC1A1SLC7A5ROCK2KDM4EGAA
SCHEMBL839078 0.87 SLC1A1 (0.54) SLC1A1SLC7A5ROCK2KDM4EGAA
SCHEMBL626641 0.86 SLC1A1 (0.56) SLC1A1SLC7A5ROCK2DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO disclosed
US-8129423-B2 1-Adamantan-2-yl-3-benzyl-1,3-dihydro-imidazol-2-one; 11beta-hydroxysteroid dehydrogenases (11beta-HSD) inhibitor; antidiabetic, hypotensive, hypoglycemic agent; resist hyperglycemia provoked by obesity or stress; HOFFMAN-LA ROCHE INC. (US) 2012-03-06 US disclosed
EP-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 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-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HSD11B1, HSD17B1, HSD17B11 SLC1A1 2640/4885SLC7A5 2481/4885ROCK2 2740/4885
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 SLC1A1 422/4885SLC7A5 1616/4885ROCK2 2206/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 SLC1A1 390/4885SLC7A5 1864/4885ROCK2 2289/4885

“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.