SCHEMBL1013359

SCHEMBL1013359

COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(NC2CCCC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
AR P10275 4/20 0.40
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CCNC P24863 4/20 0.39
CDK8 P49336 4/20 0.39
LIPG Q9Y5X9 1/20 0.39
BACE1 P56817 1/20 0.38
POLQ O75417 1/20 0.37
POLB P06746 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDE1C Q14123 1/20 0.37
KDM1A O60341 1/20 0.36
CREBBP Q92793 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
SCHEMBL14291842 0.91 FAAH (0.45) FAAHARJAK3CCNCCDK8
SCHEMBL1013404 0.86 AR (0.42) ARCCNCCDK8LIPGPOLQ
SCHEMBL1016472 0.83 CCNC (0.45) ARCCNCCDK8LIPGPOLQ
SCHEMBL1013848 0.83 BACE1 (0.39) FAAHARCCNCCDK8LIPG
SCHEMBL1012899 0.82 CCNC (0.44) ARCCNCCDK8LIPGPOLQ
SCHEMBL1013067 0.82 CCNC (0.44) ARCCNCCDK8POLQPDE1C
SCHEMBL1016963 0.79 CCNC (0.41) ARCCNCCDK8LIPGPOLQ
SCHEMBL3689023 0.79 HRH3 (0.41) FAAHARCCNCCDK8LIPG
SCHEMBL1013167 0.78 AR (0.45) ARJAK3POLQ
SCHEMBL1011231 0.77 CCNC (0.40) ARCCNCCDK8LIPGPOLQ

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 FAAH 169/4885AR 4054/4885JAK3 3637/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B FAAH 169/4885AR 4054/4885JAK3 3637/4885

“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.