SCHEMBL4174490

SCHEMBL4174490

N#Cc1cccc(C#CC(=O)NCCc2ccc(F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
ALOX5 P09917 1/20 0.48
EPHX2 P34913 1/20 0.48
SLC1A2 P43004 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTR2A P28223 2/20 0.45
CCR3 P51677 2/20 0.45
VNN1 O95497 1/20 0.44
CNR1 P21554 1/20 0.44
GAA P10253 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CCR5 P51681 1/20 0.41
KMT2A Q03164 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
SCHEMBL4171598 0.89 FFAR1 (0.53) FFAR1HTR2ACCR3CNR1GAA
SCHEMBL4175976 0.88 CNR1 (0.58) FFAR1CCR3VNN1CNR1GAA
SCHEMBL4174109 0.88 FFAR1 (0.50) FFAR1EPHX2CCR3CNR1GAA
SCHEMBL4186379 0.85 ALDH1A1 (0.52) ALOX5EPHX2CNR1GAAPLAAT3
SCHEMBL4178343 0.84 RAB9A (0.55) FFAR1EPHX2PLAAT3PLAAT5PLAAT2
SCHEMBL4170483 0.83 PYGL (0.56) FFAR1CNR1GAAPLAAT3PLAAT5
SCHEMBL4174162 0.83 FFAR1 (0.54) FFAR1CNR1PLAAT3PLAAT5PLAAT2
SCHEMBL4174489 0.82 TDP1 (0.60) FFAR1ALOX5EPHX2RAB9ASMN1; SMN2
SCHEMBL4174394 0.79 RAB9A (0.58) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4180518 0.79 HPGD (0.48) FFAR1GAAPLAAT3PLAAT5PLAAT2

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 4316/4885ALOX5 855/4885EPHX2 89/4885

“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.