SCHEMBL4170992

SCHEMBL4170992

CN(CCc1ccc(C(F)(F)F)cc1)C(=O)C#Cc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
GRM5 P41594 4/20 0.40
FFAR2 O15552 1/20 0.39
TACR1 P25103 2/20 0.39
UTS2R Q9UKP6 1/20 0.39
PTGES O14684 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MLYCD O95822 1/20 0.38
LMNA P02545 1/20 0.37
AKR1C3 P42330 1/20 0.37
GRIN2B Q13224 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TAAR1 Q96RJ0 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
SCHEMBL4174405 0.90 LMNA (0.43) FFAR1GRM5TACR1PTGESPTGDR2
SCHEMBL4176091 0.88 ALDH1A1 (0.45) FFAR1GRM5PTGESLMNATAAR1
SCHEMBL4175735 0.86 FFAR1 (0.41) FFAR1GRM5PTGESPTGDR2TAAR1
SCHEMBL4177596 0.86 PTGES (0.47) GRM5PTGESPTGDR2TAAR1
SCHEMBL4175948 0.85 ALDH1A1 (0.43) GRM5PTGESLMNAAKR1C3TAAR1
SCHEMBL4174373 0.83 FFAR1 (0.54) FFAR1GRM5TACR1PTGESMLYCD
SCHEMBL4181760 0.82 TAAR1 (0.47) GRM5PTGESTAAR1
SCHEMBL4164334 0.82 ALOX5 (0.39) GRM5UTS2RPTGES
SCHEMBL4164285 0.81 TAAR1 (0.45) FFAR1GRM5PTGESLMNATAAR1
SCHEMBL4174379 0.78 CHRNA7 (0.45) GRM5PTGESPTGDR2AKR1C3TAAR1

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-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US claimed
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US disclosed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 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-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS FHIT, CYP3A43, DNPEP FFAR1 4316/4885GRM5 2902/4885FFAR2 3104/4885

“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.