SCHEMBL1476698

SCHEMBL1476698

CCOC(=O)NCc1cc(C#C[Si](C)(C)C)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.42
GABRA5 P31644 5/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA3 P34903 4/20 0.42
GABRA2 P47869 4/20 0.42
GABRA4 P48169 3/20 0.42
GABRA6 Q16445 3/20 0.42
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRB2 P47870 1/20 0.37
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
GLS O94925 1/20 0.34

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
SCHEMBL6557230 0.89 SMN1; SMN2 (0.39) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL3837338 0.86 ALDH1A1 (0.38) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL1476738 0.85 GABRA1 (0.41) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL1477497 0.84 SETDB1 (0.43) POLBLMNAHTT
SCHEMBL1477482 0.80 SETDB1 (0.38) TSHRSMN1; SMN2CYP1A2LMNANAMPT
SCHEMBL6180348 0.77 GABRA1 (0.36) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL1478685 0.76 TSHR (0.46) TSHRSMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL15729791 0.75 GABRA1 (0.41) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL752442 0.75 TSHR (0.47) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL1476652 0.75 IKBKB (0.37) GABRA1GABRA5GABRG2GABRB3GABRA3

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
US-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US disclosed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 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 (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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 GABRA1 522/4885GABRA5 318/4885GABRG2 864/4885

“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.