SCHEMBL4174405

SCHEMBL4174405

CN(CCc1cccc(C(F)(F)F)c1)C(=O)C#Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
PTGES O14684 2/20 0.42
FFAR1 O14842 1/20 0.42
CNR1 P21554 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
TACR1 P25103 2/20 0.41
MEN1 O00255 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
CETP P11597 1/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL4170992 0.90 FFAR1 (0.43) LMNAPTGESFFAR1PTGDR2TAAR1
SCHEMBL4174373 0.87 FFAR1 (0.54) PTGESFFAR1TACR1MEN1KMT2A
SCHEMBL4181760 0.86 TAAR1 (0.47) PTGESCNR1TAAR1MEN1KMT2A
SCHEMBL4177596 0.85 PTGES (0.47) PTGESPTGDR2TAAR1MEN1KMT2A
SCHEMBL4164285 0.84 TAAR1 (0.45) LMNAPTGESFFAR1CNR1TAAR1
SCHEMBL4176091 0.82 ALDH1A1 (0.45) LMNAPTGESFFAR1TAAR1CYP1A2
SCHEMBL4175735 0.81 FFAR1 (0.41) PTGESFFAR1PTGDR2TAAR1CYP3A4
SCHEMBL4164334 0.81 ALOX5 (0.39) PTGESCNR1GAAGRM5
SCHEMBL4175948 0.80 ALDH1A1 (0.43) LMNAHPGDPTGESTAAR1AOC3
SCHEMBL4174379 0.80 CHRNA7 (0.45) PTGESPTGDR2TAAR1MEN1GAA

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 LMNA 1560/4885HPGD 381/4885PTGES 120/4885

“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.