SCHEMBL4189140

SCHEMBL4189140

Cc1ccc(C#CC(=O)N(C)CCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
FFAR1 O14842 3/20 0.49
VCP P55072 1/20 0.47
UTS2R Q9UKP6 1/20 0.44
LTB4R Q15722 7/20 0.43
LTB4R2 Q9NPC1 7/20 0.43
AOC3 Q16853 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MLYCD O95822 1/20 0.42
NPY5R Q15761 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL4186373 0.85 FFAR1 (0.52) NPSR1FFAR1LTB4RLTB4R2L3MBTL1
SCHEMBL4176170 0.84 FFAR1 (0.47) NPSR1FFAR1VCPTDP1L3MBTL1
SCHEMBL4175597 0.82 NPSR1 (0.40) NPSR1FFAR1LTB4RLTB4R2AOC3
SCHEMBL4175056 0.82 LTB4R (0.41) FFAR1LTB4RLTB4R2L3MBTL1MLYCD
SCHEMBL4174498 0.81 FFAR1 (0.49) NPSR1FFAR1LTB4RLTB4R2AOC3
SCHEMBL4175735 0.80 FFAR1 (0.41) NPSR1FFAR1LTB4RLTB4R2AOC3
SCHEMBL4177596 0.79 PTGES (0.47) NPSR1LTB4RLTB4R2AOC3TAAR1
SCHEMBL4178894 0.79 CDK8 (0.53) AOC3
SCHEMBL4174077 0.77 FFAR1 (0.55) NPSR1FFAR1LTB4RLTB4R2AOC3
SCHEMBL4169203 0.77 MLYCD (0.41) NPSR1LTB4RLTB4R2AOC3TDP1

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 NPSR1 371/4885FFAR1 4316/4885VCP 828/4885

“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.