SCHEMBL4174498

SCHEMBL4174498

Cc1ccccc1C#CC(=O)N(C)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
CHRM2 P08172 1/20 0.49
S1PR1 P21453 1/20 0.49
FPR1 P21462 1/20 0.49
FPR3 P25089 1/20 0.49
GPR183 P32249 1/20 0.49
APLNR P35414 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
GPR65 Q8IYL9 1/20 0.49
MLYCD O95822 2/20 0.42
LTB4R Q15722 4/20 0.41
LTB4R2 Q9NPC1 4/20 0.41
KMT2A Q03164 2/20 0.41
NPY5R Q15761 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ABCC1 P33527 1/20 0.40
LIPE Q05469 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AOC3 Q16853 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
SCHEMBL4175056 0.87 LTB4R (0.41) FFAR1MLYCDLTB4RLTB4R2NPY5R
SCHEMBL4169203 0.85 MLYCD (0.41) MLYCDLTB4RLTB4R2KMT2ANPY5R
SCHEMBL4174272 0.85 MLYCD (0.44) MLYCDLTB4RLTB4R2KMT2ANPY5R
SCHEMBL4175215 0.82 CDK8 (0.51) KMT2AAOC3
SCHEMBL4183591 0.82 FFAR1 (0.51) FFAR1MLYCDLTB4RLTB4R2KMT2A
SCHEMBL4189140 0.81 NPSR1 (0.50) FFAR1FFAR4MLYCDLTB4RLTB4R2
SCHEMBL4180669 0.78 MME (0.42) FFAR1FFAR4MLYCDLTB4RLTB4R2
SCHEMBL4174494 0.78 MEN1 (0.46) FFAR1MLYCDLTB4RLTB4R2KMT2A
SCHEMBL4186373 0.77 FFAR1 (0.52) FFAR1FFAR4LTB4RLTB4R2TAAR1
SCHEMBL4175597 0.77 NPSR1 (0.40) FFAR1FFAR4MLYCDLTB4RLTB4R2

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 4316/4885CHRM2 2409/4885S1PR1 4802/4885

“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.