SCHEMBL2940437

SCHEMBL2940437

CC(=O)c1ccc(OCc2cccc(CNC=O)c2)c(C(F)(F)F)c1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.50
CYSLTR1 Q9Y271 2/20 0.50
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41

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
Hydrochloric Acid SCHEMBL2949434 0.99 GRM2 (0.49) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL2940441 0.89 MRGPRX4 (0.54) GRM2CYSLTR1MAPTL3MBTL1HTT
Hydrochloric Acid SCHEMBL2949438 0.88 MRGPRX4 (0.53) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL12231479 0.84 GRM2 (0.49) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL2940440 0.82 GRM2 (0.52) GRM2CYSLTR1MAPTL3MBTL1HTT
Hydrochloric Acid SCHEMBL2949437 0.81 GRM2 (0.51) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL12231469 0.80 GRM2 (0.50) GRM2CYSLTR1MAPTL3MBTL1HTT
Hydrochloric Acid SCHEMBL27831476 0.79 MRGPRX4 (0.56) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL12231474 0.78 GRM2 (0.50) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL27831471 0.77 GRM2 (0.47) GRM2CYSLTR1MAPTL3MBTL1HTT

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
EP-2318375-B1 IMIDAZOLE CARBOXAMIDES LILLY CO ELI (US) 2012-09-19 EP disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
WO-2010009062-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2010-01-21 WO disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 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 (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-20100016373-A1 IMIDAZOLE CARBOXAMIDES CYP3A4, CYP2C9, AADAC GRM2 2836/4885CYSLTR1 2163/4885MAPT 1712/4885

“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.