SCHEMBL4095372

SCHEMBL4095372

Cc1nc([CH]c2c(CO[Si](C)(C)C(C)(C)C)nc(C)n2-c2ccc(F)cc2)cn1-c1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
GRM5 P41594 1/20 0.30

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
SCHEMBL2175863 0.77 GRM5 (0.38) NR3C1NR3C2GRM5
SCHEMBL4972851 0.74 GPR52 (0.36) NR3C1NR3C2GRM5
SCHEMBL2175491 0.65 PTGS2 (0.43) NR3C1NR3C2GRM5
SCHEMBL2173928 0.61 CPB2 (0.37)
SCHEMBL1121430 0.61 IDO1 (0.50)
SCHEMBL2171789 0.59 GRM5 (0.43) NR3C1NR3C2GRM5
SCHEMBL29187084 0.58 CNR2 (0.39) GRM5
SCHEMBL25607620 0.57
SCHEMBL25607619 0.57 CCR1 (0.33)
SCHEMBL29792001 0.57 CCR1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481548-B2 2-[4-(2-chloro-pyridin-4-ylethynyl)-2-methyl-imidazol-1-yl]-4-trifluoromethyl-pyrimidine; metabotropic glutamate (mGluR5) receptor antagonist; analgesic, neurodegenerative diseases; psychosis, epilepsy, schizophrenia, Alzheimer' disease, cognititve disorders, memory deficits, chronic and acute pain HOFFMAN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-7531529-B2 Imidazole derivatives ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-20080119489-A1 IMIDAZOLE DERIVATIVES BUETTELMANN BERND 2008-05-22 US disclosed
EP-1606277-B1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-05-14 EP disclosed
US-20080103306-A1 IMIDAZOLE DERIVATIVES BUETTELMANN BERND 2008-05-01 US disclosed
US-7332510-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US disclosed
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 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 (2 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-20080119489-A1 IMIDAZOLE DERIVATIVES GRIK5, GRM5, GRIN2B NR3C1 241/4885NR3C2 331/4885GRM5 2/4885
US-20080103306-A1 IMIDAZOLE DERIVATIVES GRIK5, GRM5, GRIN2B NR3C1 256/4885NR3C2 421/4885GRM5 2/4885

“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.