SCHEMBL6162617

SCHEMBL6162617

CN(C)Cc1cnnn1-c1cccc(C(=O)CC(=O)Nc2cc(C(F)(F)F)c(N(C)C)cc2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30

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
SCHEMBL6168329 0.91 HSD11B1 (0.37) HSD11B1MALT1KCNQ4KCNQ5
SCHEMBL6626827 0.90 HSD11B1 (0.40) HSD11B1L3MBTL1POLBMALT1
SCHEMBL6164562 0.90 HSD11B1 (0.39) HSD11B1L3MBTL1MALT1
SCHEMBL6434107 0.87 PLOD2 (0.36) L3MBTL1POLB
SCHEMBL6166485 0.85 EP300 (0.32) HSD11B1L3MBTL1
SCHEMBL6166873 0.84 L3MBTL1 (0.42) L3MBTL1POLBRXFP1KCNQ4KCNQ5
SCHEMBL6167437 0.84 HSD11B1 (0.33) HSD11B1
SCHEMBL6164712 0.84 L3MBTL1 (0.38) L3MBTL1POLBRXFP1
SCHEMBL6166140 0.81 L3MBTL1 (0.38) L3MBTL1POLBRXFP1KCNQ4KCNQ5
SCHEMBL6164037 0.80 ALDH1A1 (0.37) L3MBTL1POLBRXFP1

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 HSD11B1 175/4885L3MBTL1 2727/4885POLB 2015/4885

“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.