SCHEMBL1013848

SCHEMBL1013848

COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(N(C)C2CCCC2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
LIPG Q9Y5X9 2/20 0.38
CCNC P24863 5/20 0.38
CDK8 P49336 5/20 0.38
AR P10275 4/20 0.37
POLQ O75417 1/20 0.36
PDE1C Q14123 1/20 0.36
KDM1A O60341 1/20 0.36
FAAH O00519 1/20 0.35
TRPA1 O75762 1/20 0.35
FASN P49327 1/20 0.35
CYP11B2 P19099 1/20 0.35
NOTUM Q6P988 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
SCHEMBL1011231 0.84 CCNC (0.40) LIPGCCNCCDK8ARPOLQ
SCHEMBL1013359 0.83 FAAH (0.44) BACE1LIPGCCNCCDK8AR
SCHEMBL1016472 0.82 CCNC (0.45) LIPGCCNCCDK8ARPOLQ
SCHEMBL1013067 0.80 CCNC (0.44) CCNCCDK8ARPOLQPDE1C
SCHEMBL1012899 0.80 CCNC (0.44) LIPGCCNCCDK8ARPOLQ
SCHEMBL1013404 0.79 AR (0.42) LIPGCCNCCDK8ARPOLQ
SCHEMBL1016963 0.76 CCNC (0.41) LIPGCCNCCDK8ARPOLQ
SCHEMBL3689023 0.76 HRH3 (0.41) LIPGCCNCCDK8ARPOLQ
SCHEMBL1013627 0.75 CCNC (0.41) CCNCCDK8ARPOLQPDE1C
SCHEMBL1014070 0.75 CACNA1H (0.41) CCNCCDK8ARPOLQCYP11B2

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 BACE1 2509/4885LIPG 130/4885CCNC 4730/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B BACE1 2509/4885LIPG 130/4885CCNC 4730/4885

“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.