SCHEMBL6433345

SCHEMBL6433345

CCOC(=O)c1csc(-c2cccc(C3=Nc4ccc(-n5cccc5)cc4NC(=O)C3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CLK1 P49759 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6436726 0.86 GRM2 (0.42) GRM2RAB9ANPC1SMN1; SMN2
SCHEMBL5868963 0.85 GRM2 (0.46) GRM2RAB9ANPC1CLK1
SCHEMBL6433360 0.83 GRM2 (0.47) GRM2
SCHEMBL5869000 0.83 CYP3A4 (0.51) GRM2RAB9ANPC1CLK1SMN1; SMN2
SCHEMBL6434843 0.82 GRM2 (0.48) GRM2
SCHEMBL6433658 0.81 GRM2 (0.45) GRM2RAB9ASMN1; SMN2
SCHEMBL6436302 0.80 GRM2 (0.43) GRM2RAB9ASMN1; SMN2
SCHEMBL6440026 0.77 GRM2 (0.43) GRM2
SCHEMBL6434533 0.77 GRM2 (0.47) GRM2
SCHEMBL7707173 0.77 SMN1; SMN2 (0.43) GRM2RAB9ANPC1SMN1; 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 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 999/4885NPC1 494/4885

“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.