SCHEMBL4174077

SCHEMBL4174077

COc1cccc(C#CC(=O)N(C)CCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
LTB4R Q15722 5/20 0.50
LTB4R2 Q9NPC1 5/20 0.50
PTGES O14684 2/20 0.49
AOC3 Q16853 1/20 0.45
RAB9A P51151 1/20 0.44
NPY5R Q15761 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4176141 0.87 CDK8 (0.51) FFAR1LTB4RLTB4R2AOC3
SCHEMBL4186373 0.84 FFAR1 (0.52) FFAR1LTB4RLTB4R2PTGESRAB9A
SCHEMBL4177596 0.83 PTGES (0.47) LTB4RLTB4R2PTGESAOC3NPSR1
SCHEMBL4174373 0.80 FFAR1 (0.54) FFAR1LTB4RLTB4R2PTGESNPSR1
SCHEMBL4189140 0.77 NPSR1 (0.50) FFAR1LTB4RLTB4R2AOC3NPY5R
SCHEMBL4175962 0.77 FFAR1 (0.56) FFAR1PTGESRAB9AMTNR1AMTNR1B
SCHEMBL4175597 0.76 NPSR1 (0.40) FFAR1LTB4RLTB4R2AOC3RAB9A
SCHEMBL6771470 0.76 FFAR1 (0.44) FFAR1PTGESMTNR1AMTNR1B
SCHEMBL7884371 0.74 FFAR1 (0.57) FFAR1PTGESRAB9A
SCHEMBL4175735 0.74 FFAR1 (0.41) FFAR1LTB4RLTB4R2PTGESAOC3

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 4316/4885LTB4R 3185/4885LTB4R2 2285/4885

“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.