SCHEMBL1830664

SCHEMBL1830664

CC(C)C(=O)c1ccc(OCc2ccccc2)c(C(F)(F)F)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.48
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPN1 P18031 4/20 0.42
PTPN6 P29350 3/20 0.42
PTPN2 P17706 2/20 0.42
MAPK14 Q16539 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
GLRA1 P23415 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MCL1 Q07820 1/20 0.40
FOLH1 Q04609 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL2892014 0.86 MAPT (0.56) TDP1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL1827966 0.86 MAPT (0.43) GRM2TDP1MAPTCYP2C9CYP2C19
SCHEMBL16096871 0.84 LMNA (0.50) TDP1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL12231471 0.84 SMN1; SMN2 (0.49) TDP1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL12231354 0.82 SMN1; SMN2 (0.43) TDP1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL12231316 0.82 SMN1; SMN2 (0.43) GRM2TDP1MAPTCYP2C9CYP2C19
SCHEMBL1829955 0.81 TDP1 (0.47) TDP1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL1830135 0.80 TRPM8 (0.43) GRM2TDP1MAPTCYP2C9CYP2C19
SCHEMBL12231418 0.78 MEN1 (0.45) GRM2TDP1MAPTCYP2C9CYP2C19
SCHEMBL12231253 0.78 TRPM8 (0.46) GRM2TDP1MAPTCYP2C9CYP2C19

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 5 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
EP-2318375-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2011-05-11 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 2836/4885TDP1 3816/4885MAPT 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.