SCHEMBL6167093

SCHEMBL6167093

CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cc(COC4CCCCO4)on3)c2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC4 P56524 1/20 0.32
CHRM1 P11229 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30
PRKD1 Q15139 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
SCHEMBL6607880 0.93 CREBBP (0.33) NPC1RAB9AEP300CREBBPPRKD1
SCHEMBL6164138 0.91 NPC1 (0.32) CCR2HDAC6CHRM1NPC1RAB9A
SCHEMBL6165927 0.90 HDAC6 (0.33) CCR2HDAC6HDAC4NPC1RAB9A
SCHEMBL6167900 0.89 CHRM1 (0.33) CCR2HDAC6HDAC4CHRM1EP300
SCHEMBL6435927 0.88 SCN9A (0.37) CHRM1PRKD1
SCHEMBL6164971 0.88 SLC6A9 (0.33) CCR2HDAC6HDAC4EP300CREBBP
SCHEMBL6165290 0.87 GABRA5 (0.32) CCR2HDAC6HDAC4
SCHEMBL5562854 0.87 CCR2 (0.32) CCR2EP300CREBBP
SCHEMBL6168648 0.85 RORC (0.31) CCR2EP300CREBBP
SCHEMBL6164819 0.83 PLK1 (0.31) CCR2

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 CCR2 1618/4885HDAC6 1812/4885HDAC4 1717/4885

“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.