SCHEMBL6166077

SCHEMBL6166077

CC(C)(C)OC(=O)Nc1cc(OCC(F)(F)F)c(-c2ccccc2F)cc1N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
AAK1 Q2M2I8 5/20 0.38
UGCG Q16739 3/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MRGPRX1 Q96LB2 3/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC4 P56524 1/20 0.36
EP300 Q09472 1/20 0.36
MEF2D Q14814 1/20 0.36

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
SCHEMBL7144215 0.87 KDM4E (0.44) RXFP1AAK1HDAC1HDAC3
SCHEMBL6612143 0.86 NPSR1 (0.39) UGCGLMNAMRGPRX1ALOX5APFEN1
SCHEMBL7144127 0.86 RXFP1 (0.38) RXFP1AAK1LMNAPOLB
SCHEMBL7143058 0.86 AAK1 (0.44) RXFP1AAK1POLBHDAC1
SCHEMBL6165508 0.84 MEN1 (0.38) RXFP1AAK1UGCGLMNA
SCHEMBL7140411 0.83 HDAC1 (0.46) HDAC1HDAC3HDAC2
SCHEMBL5562433 0.82 AAK1 (0.46) RXFP1AAK1LMNAPOLBHDAC1
SCHEMBL5557597 0.79 AAK1 (0.41) RXFP1AAK1
SCHEMBL5562894 0.79 RXFP1 (0.38) RXFP1AAK1LMNAPOLBHDAC1
SCHEMBL2316738 0.77 AAK1 (0.46) RXFP1AAK1ALOX5APFEN1HDAC1

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 RXFP1 421/4885AAK1 2640/4885UGCG 4467/4885

“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.