SCHEMBL1014143

SCHEMBL1014143

CC(C)CN(C)c1cc(Cl)c(CCC(=O)O)cc1-c1ccc2c(cnn2C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.39
CCNC P24863 5/20 0.39
CDK8 P49336 5/20 0.39
GCGR P47871 5/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
KMO O15229 1/20 0.36
USP7 Q93009 1/20 0.36
TRPA1 O75762 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 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
SCHEMBL1013864 0.91 CCNC (0.38) ARCCNCCDK8SLC16A3SLC16A1
SCHEMBL1017267 0.81 AR (0.45) ARCCNCCDK8GCGRSLC16A3
SCHEMBL13389075 0.81 TRPA1 (0.41) ARUSP7TRPA1
SCHEMBL13617333 0.75 NR1H4 (0.33)
SCHEMBL12954583 0.74 DPP4 (0.34)
SCHEMBL13389324 0.74 CCNC (0.46) ARCCNCCDK8KMOUSP7
SCHEMBL1011507 0.74 CCNC (0.46) ARCCNCCDK8KMOUSP7
SCHEMBL14313623 0.73 AR (0.46) ARCCNCCDK8GCGRUSP7
SCHEMBL1014302 0.73 AR (0.42) ARCCNCCDK8SLC16A3SLC16A1
SCHEMBL1012900 0.71 CCNC (0.44) ARCCNCCDK8USP7TRPA1

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
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
EP-2272832-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-01-12 EP disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 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 (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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B AR 4054/4885CCNC 4730/4885CDK8 4422/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B AR 4054/4885CCNC 4730/4885CDK8 4422/4885

“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.