SCHEMBL4177596

SCHEMBL4177596

CN(CCc1ccccc1)C(=O)C#Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
LTB4R Q15722 6/20 0.44
LTB4R2 Q9NPC1 6/20 0.44
AOC3 Q16853 1/20 0.43
GRM5 P41594 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPRC P08575 1/20 0.40
CYP2C9 P11712 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL4175735 0.90 FFAR1 (0.41) PTGESNPSR1TAAR1LTB4RLTB4R2
SCHEMBL4175948 0.89 ALDH1A1 (0.43) PTGESNPSR1TAAR1AOC3GRM5
SCHEMBL4164285 0.89 TAAR1 (0.45) PTGESNPSR1TAAR1LTB4RLTB4R2
SCHEMBL4176091 0.89 ALDH1A1 (0.45) PTGESNPSR1TAAR1AOC3GRM5
SCHEMBL4181760 0.88 TAAR1 (0.47) PTGESTAAR1AOC3GRM5MEN1
SCHEMBL4174379 0.86 CHRNA7 (0.45) PTGESTAAR1GRM5MEN1KMT2A
SCHEMBL4170992 0.86 FFAR1 (0.43) PTGESTAAR1GRM5PTGDR2
SCHEMBL4186373 0.86 FFAR1 (0.52) PTGESNPSR1TAAR1LTB4RLTB4R2
SCHEMBL4166960 0.85 PTGES (0.48) PTGESNPSR1TAAR1GRM5MEN1
SCHEMBL4174405 0.85 LMNA (0.43) PTGESTAAR1AOC3GRM5MEN1

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 7 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
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 PTGES 120/4885NPSR1 371/4885TAAR1 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.