SCHEMBL4173148

SCHEMBL4173148

Cc1ncccc1CCN(C)C(=O)C#Cc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.37
SLC6A7 Q99884 1/20 0.37
VCP P55072 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
BACE1 P56817 1/20 0.34
PTGES O14684 1/20 0.34
CYP3A4 P08684 1/20 0.34
PTPRC P08575 1/20 0.34

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
SCHEMBL4181892 0.84 NPSR1 (0.40) GRM5PTGDR2CYP2C9NPSR1PTGES
SCHEMBL4171607 0.83 RAB9A (0.48) GRM5CYP2C9CYP3A4
SCHEMBL4178915 0.81 TAAR1 (0.43) GRM5NPSR1PTGESPTPRC
SCHEMBL4164433 0.81 AOC3 (0.44) GRM5PTGDR2CYP2C9NPSR1PTGES
SCHEMBL4175948 0.80 ALDH1A1 (0.43) GRM5NPSR1PTGES
SCHEMBL4174379 0.80 CHRNA7 (0.45) GRM5PTGDR2PTGES
SCHEMBL4181271 0.80 PYGL (0.44) GRM5PTGDR2VCPCYP2C9
SCHEMBL4175735 0.79 FFAR1 (0.41) GRM5PTGDR2CYP2C9NPSR1PTGES
SCHEMBL4164334 0.79 ALOX5 (0.39) GRM5NPSR1PTGES
SCHEMBL4177596 0.78 PTGES (0.47) GRM5PTGDR2CYP2C9NPSR1PTGES

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 GRM5 2902/4885PTGDR2 1088/4885SLC6A7 1925/4885

“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.