SCHEMBL5868932

SCHEMBL5868932

O=C1CC(c2cccc(-c3nc(C(=O)O)cs3)c2)=Nc2ccc(-c3ccc(F)cc3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.50
CYP3A4 P08684 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5868974 0.89 CYP3A4 (0.55) GRM2CYP3A4RAB9ASMN1; SMN2
SCHEMBL7139972 0.88 GRM2 (0.45) GRM2CYP3A4
SCHEMBL5868963 0.88 GRM2 (0.46) GRM2CYP3A4RAB9A
SCHEMBL5868831 0.86 GRM2 (0.51) GRM2CYP3A4
SCHEMBL5869208 0.86 GRM2 (0.54) GRM2CYP3A4RAB9ASMN1; SMN2
SCHEMBL7139973 0.86 GRM2 (0.44) GRM2CYP3A4
SCHEMBL5869118 0.83 GRM2 (0.51) GRM2
SCHEMBL5868858 0.82 SMN1; SMN2 (0.47) GRM2CYP3A4RAB9ASMN1; SMN2
SCHEMBL5868805 0.82 GRM2 (0.53) GRM2RAB9ASMN1; SMN2
SCHEMBL5869000 0.77 CYP3A4 (0.51) GRM2CYP3A4RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US claimed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US claimed
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (3 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 GRM2 3/4885CYP3A4 3296/4885RAB9A 1527/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 GRM2 3/4885CYP3A4 2838/4885RAB9A 2325/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 GRM2 3/4885CYP3A4 2838/4885RAB9A 2325/4885

“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.