SCHEMBL4179271

SCHEMBL4179271

Cc1cccc(C#CC(=O)NCC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
UTS2R Q9UKP6 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
PTGES O14684 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GPR139 Q6DWJ6 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 1/20 0.39
TACR1 P25103 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
SCHEMBL4170485 0.89 CTSB (0.42) FFAR1UTS2RCTSLCTSBCTSS
SCHEMBL4181930 0.86 NPC1 (0.46) UTS2RCNR1CNR2MEN1KMT2A
SCHEMBL4185818 0.85 UTS2R (0.51) FFAR1UTS2RCNR1CNR2MEN1
SCHEMBL4181905 0.85 ERCC1 (0.39) UTS2RMEN1KMT2ALMNAMAPT
SCHEMBL4173488 0.84 GPR139 (0.45) FFAR1GPR139CNR1CNR2GFER
SCHEMBL4181745 0.84 MTNR1A (0.50) FFAR1EGLN1PTGESMEN1KMT2A
SCHEMBL4185062 0.81 NPC1 (0.39) FFAR1UTS2RFFAR4MEN1KMT2A
SCHEMBL4188618 0.79 NPC1 (0.58) FFAR1PTGESMEN1KMT2ALMNA
SCHEMBL4166970 0.78 TACR1 (0.47) UTS2RGPR139CNR1CNR2TACR1
SCHEMBL4179336 0.77 TP53 (0.41) FFAR1FFAR4CNR1CNR2MEN1

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 4 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
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 4316/4885UTS2R 1476/4885EGLN1 1444/4885

“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.