SCHEMBL6005368

SCHEMBL6005368

CN(C)CC(Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.48
PNMT P11086 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
FDFT1 P37268 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL9781682 0.85 KMO (0.56) KMOPNMTMEN1KMT2AFDFT1
SCHEMBL6005350 0.80 PNMT (0.51) KMOPNMTMEN1KMT2AFDFT1
SCHEMBL4619729 0.80 KMO (0.51) KMOPNMTMEN1KMT2AFDFT1
SCHEMBL6005266 0.79 KMO (0.48) KMOPNMTMEN1KMT2ASLC6A2
SCHEMBL6005075 0.79 KMO (0.48) KMOPNMTMEN1KMT2ASLC6A2
SCHEMBL4439324 0.77 PNMT (0.53) KMOPNMTTSHR
SCHEMBL6168226 0.76 MME (0.56) CYP1A2
SCHEMBL6003855 0.76 PNMT (0.58) KMOPNMTMAOAMAOBFDFT1
SCHEMBL5130053 0.76 PNMT (0.58) KMOPNMTMAOAMAOBFDFT1
SCHEMBL6005581 0.76 PNMT (0.58) KMOPNMTMAOAMAOBFDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP 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 (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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP KMO 2275/4885PNMT 479/4885MEN1 3871/4885

“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.