SCHEMBL6165337

SCHEMBL6165337

CC(C)(C)OC(=O)Nc1cc(N2CCCC2)c(F)cc1NC(=O)CC(=O)c1ccnc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.36
CYP17A1 P05093 1/20 0.36
RAB9A P51151 3/20 0.36
EGLN2 Q96KS0 2/20 0.36
NPC1 O15118 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
CSF1R P07333 1/20 0.34
RIPK3 Q9Y572 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL6165622 0.90 SCN10A (0.39) MAPTSCN10ANPC1NPSR1JAK3
SCHEMBL6163340 0.89 SCN10A (0.37) MAPTSCN10ANPSR1JAK3BTK
SCHEMBL6167518 0.88 JAK3 (0.38) SCN10AKMT2AJAK3BTKCSF1R
SCHEMBL6609589 0.88 MAPT (0.38) MAPTSCN10AALDH1A1HPGDTSHR
SCHEMBL6435938 0.83 KDR (0.34) SCN10AJAK3
SCHEMBL6435489 0.83 THRB (0.41) MAPTALDH1A1HPGDTSHRKMT2A
SCHEMBL5868769 0.80 CYP17A1 (0.45) CYP17A1EGLN2RIPK3
SCHEMBL5868993 0.80 CYP17A1 (0.40) CYP17A1EGLN2RIPK3
SCHEMBL17336569 0.80 CYP17A1 (0.38) CYP17A1EGLN2MEN1KMT2A
SCHEMBL17336523 0.80 MEN1 (0.43) MAPTCYP17A1NPC1MEN1KMT2A

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 MAPT 1155/4885SCN10A 597/4885ALDH1A1 316/4885

“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.