SCHEMBL4698221

SCHEMBL4698221

O=C(NC1N=C(c2ccc(Br)cc2)c2ccccc2NC1=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.59
CCKAR P32238 11/20 0.59
SENP1 Q9P0U3 1/20 0.52

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
SCHEMBL1574399 0.93 CCKBR (0.65) CCKBRCCKARSENP1
SCHEMBL641969 0.93 CCKBR (0.65) CCKBRCCKARSENP1
SCHEMBL8711252 0.93 CCKBR (0.65) CCKBRCCKARSENP1
Water SCHEMBL9229371 0.92 CCKBR (0.64) CCKBRCCKARSENP1
SCHEMBL1574220 0.90 BRD4 (0.61) CCKBRCCKARSENP1
SCHEMBL4423335 0.90 CCKBR (0.67) CCKBRCCKARSENP1
SCHEMBL1574224 0.90 BRD4 (0.61) CCKBRCCKARSENP1
SCHEMBL2525191 0.90 CCKBR (0.67) CCKBRCCKARSENP1
SCHEMBL9432720 0.89 CCKBR (0.58) CCKBRCCKARSENP1
SCHEMBL6939944 0.89 CCKBR (0.58) CCKBRCCKARSENP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326849-B1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2008-07-16 EP disclosed
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-6995155-B2 Benzodiazepine derivatives as inhibitors of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2006-02-07 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US disclosed
US-20040024203-A1 Benzodiazepine derivatives as inhibitors of gamma secretase MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1326849-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE Merck Sharp & Dohme Limited (GB) 2003-07-16 EP disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2002030912-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2002-04-18 WO disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 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 (2 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP CCKBR 642/4885CCKAR 838/4885SENP1 528/4885
US-20040024203-A1 Benzodiazepine derivatives as inhibitors of gamma secretase BACE1, BACE2, PSEN1 CCKBR 327/4885CCKAR 757/4885SENP1 497/4885

“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.