SCHEMBL4175735

SCHEMBL4175735

Cc1ccc(CCN(C)C(=O)C#Cc2cccc(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
GRM5 P41594 6/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PTGES O14684 1/20 0.39
PTPRC P08575 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
AOC3 Q16853 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.37
CYP3A4 P08684 1/20 0.36
CDK8 P49336 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALOX5 P09917 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
SCHEMBL4177596 0.90 PTGES (0.47) GRM5TAAR1PTGESPTPRCLTB4R
SCHEMBL4164285 0.89 TAAR1 (0.45) FFAR1GRM5TAAR1PTGESLTB4R
SCHEMBL4176091 0.89 ALDH1A1 (0.45) FFAR1GRM5TAAR1PTGESPTPRC
SCHEMBL4175948 0.87 ALDH1A1 (0.43) GRM5TAAR1PTGESAOC3NPSR1
SCHEMBL4170992 0.86 FFAR1 (0.43) FFAR1GRM5TAAR1PTGESPTGDR2
SCHEMBL4181760 0.84 TAAR1 (0.47) GRM5TAAR1PTGESAOC3
SCHEMBL4181892 0.82 NPSR1 (0.40) GRM5PTGESPTPRCNPSR1CYP3A4
SCHEMBL4174379 0.82 CHRNA7 (0.45) GRM5TAAR1PTGESPTGDR2
SCHEMBL4186373 0.81 FFAR1 (0.52) FFAR1TAAR1PTGESLTB4RLTB4R2
SCHEMBL4174405 0.81 LMNA (0.43) FFAR1GRM5TAAR1PTGESAOC3

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 FFAR1 4316/4885GRM5 2902/4885TAAR1 3070/4885

“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.