SCHEMBL4174154

SCHEMBL4174154

COc1ccc(CCN(C)C(=O)C#Cc2ccc(F)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
AOC3 Q16853 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL4178894 0.90 CDK8 (0.53) CDK8CLK4AOC3CYP1A2CYP3A4
SCHEMBL4183615 0.88 CDK8 (0.49) CDK8CLK4LMNAMAPK1AOC3
SCHEMBL4176141 0.83 CDK8 (0.51) CDK8CLK4LMNAAOC3CYP1A2
SCHEMBL4175215 0.79 CDK8 (0.51) CDK8CLK4AOC3CYP1A2CYP3A4
SCHEMBL4174197 0.78 CDK8 (0.50) CDK8CLK4AOC3CYP1A2CYP3A4
SCHEMBL4171608 0.78 CDK8 (0.47) CDK8CLK4AOC3CYP1A2CYP3A4
SCHEMBL4176091 0.76 ALDH1A1 (0.45) LMNAMAPK1AOC3CYP1A2CYP3A4
SCHEMBL10879740 0.75 CDK8 (0.67) CDK8CLK4LMNAAOC3CYP1A2
SCHEMBL14276933 0.75 CYP3A4 (0.66) CDK8CLK4LMNAAOC3CYP1A2
SCHEMBL3345442 0.73 CYP1A2 (0.64) CDK8CLK4LMNAAOC3CYP1A2

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 CDK8 3780/4885CLK4 3020/4885LMNA 1560/4885

“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.