SCHEMBL6167900

SCHEMBL6167900

CC(C)(C)OC(=O)Nc1cc(N2CCCC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-c2cc(COC3CCCCO3)on2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
SCN9A Q15858 2/20 0.32
SCN5A Q14524 1/20 0.32
USP30 Q70CQ3 1/20 0.32
CCR2 P41597 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL6435927 0.96 SCN9A (0.37) CHRM1SCN9ASCN5AUSP30
SCHEMBL6606944 0.93 SCN5A (0.33) SCN9ASCN5ATAAR1EP300CREBBP
SCHEMBL6167093 0.89 CCR2 (0.32) CHRM1CCR2HDAC4HDAC6EP300
SCHEMBL6434930 0.86 SCN5A (0.36) SCN9ASCN5AUSP30HDAC4HDAC6
SCHEMBL7237567 0.84 SCN5A (0.35) SCN9ASCN5A
SCHEMBL6164138 0.82 NPC1 (0.32) CHRM1USP30CCR2HDAC6EP300
SCHEMBL6165170 0.82 POLB (0.33) CCR2TAAR1EP300CREBBP
SCHEMBL6607880 0.82 CREBBP (0.33) EP300CREBBP
SCHEMBL6166902 0.81 EP300 (0.32) CCR2EP300CREBBP
SCHEMBL6165150 0.79 HDAC6 (0.39) USP30HDAC4HDAC6TAAR1

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 CHRM1 147/4885SCN9A 846/4885SCN5A 383/4885

“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.