SCHEMBL4180669

SCHEMBL4180669

CN(CCc1ccccc1)C(=O)C#Cc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.42
ECE1 P42892 3/20 0.42
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
MLYCD O95822 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
LTB4R Q15722 3/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
MAPK14 Q16539 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL4174272 0.87 MLYCD (0.44) MMEECE1MLYCDLTB4RLTB4R2
SCHEMBL4185154 0.84 MME (0.43) MMEECE1RAB9APOLBFFAR1
SCHEMBL4175056 0.79 LTB4R (0.41) RAB9AMLYCDFFAR1LTB4RLTB4R2
SCHEMBL4174498 0.78 FFAR1 (0.49) MLYCDFFAR1FFAR4LTB4RLTB4R2
SCHEMBL4174494 0.78 MEN1 (0.46) MLYCDFFAR1LTB4RLTB4R2L3MBTL1
SCHEMBL4175597 0.77 NPSR1 (0.40) RAB9AMLYCDFFAR1FFAR4LTB4R
SCHEMBL4169203 0.77 MLYCD (0.41) RAB9APOLBMLYCDLTB4RLTB4R2
SCHEMBL4183591 0.77 FFAR1 (0.51) POLBMLYCDFFAR1LTB4RLTB4R2
SCHEMBL4180153 0.75 MME (0.59) MMEECE1RAB9APOLBTAAR1
SCHEMBL4189140 0.73 NPSR1 (0.50) MLYCDFFAR1FFAR4LTB4RLTB4R2

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 MME 24/4885ECE1 166/4885RAB9A 4846/4885

“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.