SCHEMBL4174379

SCHEMBL4174379

CN(CCc1cccnc1)C(=O)C#Cc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.45
PTGES O14684 3/20 0.45
AKR1C3 P42330 1/20 0.45
GRM5 P41594 4/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.41
TBXAS1 P24557 1/20 0.41
HTR2C P28335 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
PTAFR P25105 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL4175948 0.88 ALDH1A1 (0.43) PTGESAKR1C3GRM5SMN1; SMN2TAAR1
SCHEMBL4177596 0.86 PTGES (0.47) PTGESGRM5MEN1KMT2ATAAR1
SCHEMBL4164285 0.83 TAAR1 (0.45) PTGESGRM5NPC1RAB9ATAAR1
SCHEMBL4181760 0.82 TAAR1 (0.47) PTGESGRM5MEN1KMT2ATAAR1
SCHEMBL4175735 0.82 FFAR1 (0.41) PTGESGRM5TAAR1PTGDR2
SCHEMBL4176091 0.81 ALDH1A1 (0.45) PTGESGRM5RAB9ATAAR1
SCHEMBL4173450 0.81 PTGES (0.48) PTGESAKR1C3GRM5NPC1MEN1
SCHEMBL4173148 0.80 GRM5 (0.41) PTGESGRM5PTGDR2
SCHEMBL4174405 0.80 LMNA (0.43) PTGESGRM5MEN1GAAKMT2A
SCHEMBL4171607 0.79 RAB9A (0.48) GRM5NPC1MEN1RAB9AKMT2A

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 CHRNA7 3346/4885PTGES 120/4885AKR1C3 1909/4885

“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.