SCHEMBL4164334

SCHEMBL4164334

CN(CCc1ccccc1C(F)(F)F)C(=O)C#Cc1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.39
EPHX2 P34913 8/20 0.39
GRM5 P41594 3/20 0.39
POLQ O75417 2/20 0.39
CNR1 P21554 1/20 0.39
GAA P10253 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 1/20 0.36
PTGES O14684 1/20 0.36
CRHR1 P34998 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
SCHEMBL4178915 0.86 TAAR1 (0.43) GRM5CNR1NPSR1PTGES
SCHEMBL4181892 0.84 NPSR1 (0.40) ALOX5GRM5UTS2RNPSR1PTGES
SCHEMBL4164433 0.83 AOC3 (0.44) GRM5CNR1GAANPSR1ACHE
SCHEMBL4170992 0.82 FFAR1 (0.43) GRM5UTS2RPTGES
SCHEMBL4174405 0.81 LMNA (0.43) GRM5CNR1GAAPTGES
SCHEMBL4177596 0.81 PTGES (0.47) GRM5NPSR1PTGES
SCHEMBL4173148 0.79 GRM5 (0.41) GRM5NPSR1PTGES
SCHEMBL4181362 0.78 CNR1 (0.53) ALOX5EPHX2CNR1
SCHEMBL4176091 0.78 ALDH1A1 (0.45) ALOX5EPHX2GRM5NPSR1PTGES
SCHEMBL4181760 0.77 TAAR1 (0.47) GRM5CNR1PTGES

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 6 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
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 WO 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 ALOX5 855/4885EPHX2 89/4885GRM5 2902/4885

“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.