SCHEMBL4180366

SCHEMBL4180366

CN(Cc1ccc(Cl)c(Br)c1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
GLS O94925 1/20 0.39
RIPK1 Q13546 2/20 0.39
HSP90AA1 P07900 3/20 0.37
MCHR1 Q99705 1/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SSTR4 P31391 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL15424209 0.89 HTR2C (0.42) HTR2CSLC6A4GLSRIPK1HSP90AA1
SCHEMBL3116212 0.83 LTA4H (0.42) HTR2CSLC6A4GLSRIPK1RAB9A
SCHEMBL3085983 0.83 SLC6A4 (0.41) HTR2CSLC6A4GLSRIPK1HSP90AA1
SCHEMBL14969145 0.83 HTR2C (0.43) HTR2CSLC6A4GLSRIPK1HSP90AA1
SCHEMBL850716 0.82 RAB9A (0.46) HTR2CSLC6A4GLSRIPK1RAB9A
SCHEMBL3080815 0.82 HTR2C (0.40) HTR2CSLC6A4GLSRIPK1HSP90AA1
SCHEMBL18416938 0.81 SSTR4 (0.40) HTR2CSLC6A4GLSRIPK1CACNA1G
SCHEMBL3105133 0.81 GLS (0.39) HTR2CSLC6A4GLSRIPK1HSP90AA1
SCHEMBL14969499 0.81 CYP4F2 (0.44) HTR2CSLC6A4GLSHSP90AA1MCHR1
SCHEMBL30264860 0.80 ALDH1A1 (0.57) HTR2CSLC6A4RIPK1MCHR1RAB9A

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
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 US disclosed
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 US disclosed
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 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-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES APOB, LDLR, CETP HTR2C 1703/4885SLC6A4 1459/4885GLS 4302/4885

“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.