SCHEMBL6789269

SCHEMBL6789269

NCC(CC(=O)OCc1ccccc1)c1ccc(-c2ccsc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.42
GABBR1 Q9UBS5 4/20 0.42
SLC15A1 P46059 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NFKB1 P19838 1/20 0.36
DRD3 P35462 1/20 0.36
BLM P54132 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6788712 0.84 GABBR2 (0.43) GABBR2GABBR1CYP2E1CYP2A6CYP2B6
SCHEMBL20812172 0.83 GABBR2 (0.60) GABBR2GABBR1SLC15A1ALDH1A1MAPK1
SCHEMBL6789815 0.81 GRIA4 (0.43) GABBR2GABBR1ALDH1A1LMNACYP2C9
SCHEMBL6786517 0.79 GRIA4 (0.41) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL5878001 0.78 GPR119 (0.39) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL6788866 0.78 GPR119 (0.39) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL5877834 0.78 GPR119 (0.39) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL5696402 0.76 TDP1 (0.53) ALDH1A1MAPK1L3MBTL1CYP2E1CYP2A6
SCHEMBL6789267 0.72 GRIA4 (0.51) LMNACYP3A4MEN1KMT2AMMP9
SCHEMBL27321134 0.70 ALDH1A1 (0.54) GABBR2GABBR1SLC15A1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 US disclosed
US-6617351-B1 Amide, carbamate, and urea derivatives ELI LILLY AND COMPANY 2003-09-09 US disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP 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 (1 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-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 GABBR2 157/4885GABBR1 147/4885SLC15A1 566/4885

“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.