SCHEMBL6163640

SCHEMBL6163640

CC(C)(C)OC(=O)Nc1cc(N2CCCC2)c(C#N)cc1NC(=O)CC(=O)c1cccc(-n2nncc2COC2CCCCO2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD11B1 P28845 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RET P07949 1/20 0.30
JAK3 P52333 1/20 0.30
BTK Q06187 1/20 0.30
PLOD2 O00469 1/20 0.30
PLOD3 O60568 1/20 0.30
PLOD1 Q02809 1/20 0.30
DPP4 P27487 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
SCHEMBL6433300 0.96 PLOD2 (0.35) EP300CREBBPNPSR1HSD11B1MEN1
SCHEMBL6163790 0.92 HSD11B1 (0.34) EP300CREBBPPOLBTSHRNPSR1
SCHEMBL6164200 0.91 POLB (0.33) EP300CREBBPPOLBTSHRNPSR1
SCHEMBL6164486 0.91 CREBBP (0.34) EP300CREBBPPOLBTSHRNPSR1
SCHEMBL6164636 0.91 POLB (0.34) EP300CREBBPPOLBTSHRNPSR1
SCHEMBL6167532 0.90 EP300 (0.32) EP300CREBBPHSD11B1MEN1KMT2A
SCHEMBL6165170 0.90 POLB (0.33) EP300CREBBPPOLBTSHRNPSR1
SCHEMBL6166902 0.89 EP300 (0.32) EP300CREBBPPOLBTSHRNPSR1
SCHEMBL6165819 0.88 EP300 (0.31) EP300CREBBPHSD11B1
SCHEMBL6165534 0.87 EP300 (0.32) EP300CREBBPHSD11B1MEN1KMT2A

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 5 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
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 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
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO 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 EP300 3193/4885CREBBP 970/4885POLB 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.