SCHEMBL4175056

SCHEMBL4175056

Cc1ccc(C#CC(=O)N(C)CCc2ccccc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.41
LTB4R2 Q9NPC1 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MLYCD O95822 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
FFAR1 O14842 1/20 0.38
NPY5R Q15761 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
SCHEMBL4174498 0.87 FFAR1 (0.49) LTB4RLTB4R2MLYCDFFAR1NPY5R
SCHEMBL4189140 0.82 NPSR1 (0.50) LTB4RLTB4R2L3MBTL1MLYCDFFAR1
SCHEMBL4186373 0.81 FFAR1 (0.52) LTB4RLTB4R2NPC1RAB9AL3MBTL1
SCHEMBL4174494 0.79 MEN1 (0.46) LTB4RLTB4R2L3MBTL1MLYCDATM
SCHEMBL4180669 0.79 MME (0.42) LTB4RLTB4R2RAB9AL3MBTL1GAA
SCHEMBL4169203 0.78 MLYCD (0.41) LTB4RLTB4R2RAB9ASMN1; SMN2MLYCD
SCHEMBL4174272 0.78 MLYCD (0.44) LTB4RLTB4R2MLYCDKDM4ENPY5R
SCHEMBL4177905 0.76 NPC1 (0.53) NPC1RAB9AL3MBTL1GAASMN1; SMN2
SCHEMBL4175597 0.76 NPSR1 (0.40) LTB4RLTB4R2RAB9AMLYCDFFAR1
SCHEMBL4183591 0.75 FFAR1 (0.51) LTB4RLTB4R2GAAMLYCDFFAR1

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 LTB4R 3185/4885LTB4R2 2285/4885NPC1 2016/4885

“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.