SCHEMBL6434048

SCHEMBL6434048

O=C1CC(c2cccc(-c3csc(C(=O)O)n3)c2)=Nc2ccc(-n3cccc3)cc2N1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.47
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL6437638 0.92 GRM2 (0.46) GRM2CYP3A4
SCHEMBL6436726 0.88 GRM2 (0.42) GRM2RAB9ASMN1; SMN2
SCHEMBL6434533 0.87 GRM2 (0.47) GRM2CYP3A4
SCHEMBL6437055 0.80 GRM2 (0.47) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL6433360 0.80 GRM2 (0.47) GRM2CYP3A4
SCHEMBL6435524 0.80 GRM2 (0.52) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL5563129 0.79 GRM2 (0.54) GRM2CYP3A4
SCHEMBL6434843 0.78 GRM2 (0.48) GRM2CYP3A4
SCHEMBL5562856 0.78 GRM2 (0.51) GRM2RAB9ASMN1; SMN2
SCHEMBL6434694 0.77 GRM2 (0.47) GRM2RAB9ASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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 (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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 GRM2 73/4885RAB9A 999/4885SMN1; SMN2 306/4885

“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.