SCHEMBL4174117

SCHEMBL4174117

Cc1ccc(CCNC(=O)C#Cc2ccc(F)cc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 6/20 0.48
MME P08473 5/20 0.48
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
PLAAT4 Q9UL19 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 1/20 0.42
EGFR P00533 1/20 0.41
CDK2 P24941 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
SCHEMBL4167091 0.92 ECE1 (0.51) ECE1MMEKMT2AMEN1ATM
SCHEMBL4180153 0.88 MME (0.59) ECE1MMEKMT2AMEN1PLAAT3
SCHEMBL4175337 0.85 PLAAT3 (0.47) ECE1MMEPLAAT3PLAAT5PLAAT2
SCHEMBL4171872 0.83 PYGL (0.47) ECE1MMEKMT2AMEN1ATM
SCHEMBL4177570 0.82 HPGD (0.49) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4175354 0.82 HPGD (0.49) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4182119 0.80 ALDH1A1 (0.48) ECE1MMEKMT2AMEN1PLAAT3
SCHEMBL4185169 0.80 NPC1 (0.49) ECE1MMEPLAAT3PLAAT5PLAAT2
SCHEMBL4180518 0.79 HPGD (0.48) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4177787 0.78 PYGL (0.43) KMT2APLAAT3PLAAT5PLAAT2PLAAT4

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 ECE1 166/4885MME 24/4885OPRM1 606/4885

“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.