SCHEMBL6166318

SCHEMBL6166318

CN(C)c1cc2c(cc1Cl)NC(=O)CC(c1cccc(-c3csc(Nc4ccncc4)n3)c1)=N2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.49
CYP3A4 P08684 1/20 0.45
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL6164097 0.86 GRM2 (0.49) GRM2CYP3A4RAB9AMAPTNPC1
SCHEMBL6163433 0.86 GRM2 (0.47) GRM2CYP3A4
SCHEMBL6166881 0.84 GRM2 (0.53) GRM2CYP3A4
SCHEMBL6166500 0.81 GRM2 (0.50) GRM2CYP3A4
SCHEMBL6164581 0.76 GRM2 (0.52) GRM2CYP3A4MAPTTDP1
SCHEMBL6166232 0.76 GRM2 (0.49) GRM2CYP3A4
SCHEMBL6166445 0.76 GRM2 (0.51) GRM2CYP3A4
SCHEMBL6166980 0.74 GRM2 (0.51) GRM2CYP3A4RAB9ASMN1; SMN2
SCHEMBL5562170 0.73 GRM2 (0.77) GRM2CYP3A4
SCHEMBL6164319 0.73 GRM2 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 GRM2 125/4885CYP3A4 190/4885RAB9A 1379/4885

“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.