SCHEMBL4173151

SCHEMBL4173151

CC(Cc1cccnc1)NC(=O)C#Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.51
AKR1C3 P42330 3/20 0.51
NPC1 O15118 4/20 0.47
RAB9A P51151 2/20 0.47
ACACB O00763 7/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4175297 0.87 PTGES (0.55) PTGESNPC1RAB9AACACB
SCHEMBL4173450 0.80 PTGES (0.48) PTGESAKR1C3NPC1RAB9AACACB
SCHEMBL4175251 0.79 NPC1 (0.57) PTGESAKR1C3NPC1RAB9AKMT2A
SCHEMBL4174379 0.73 CHRNA7 (0.45) PTGESAKR1C3NPC1RAB9AKMT2A
SCHEMBL9657331 0.72 ACACB (0.65) NPC1RAB9AACACB
SCHEMBL21896497 0.72 POLB (0.55) NPC1RAB9AACACB
SCHEMBL30056386 0.70 PKM (0.51) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL2201051 0.70 PKM (0.51) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL1477031 0.70 GRM5 (0.50)
SCHEMBL30669242 0.70 GRM5 (0.50)

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
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

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 PTGES 120/4885AKR1C3 1909/4885NPC1 2016/4885

“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.