SCHEMBL4171607

SCHEMBL4171607

CN(CCc1ccccn1)C(=O)C#Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
HIF1A Q16665 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD11B1 P28845 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.44
GRM5 P41594 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 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
SCHEMBL4173148 0.83 GRM5 (0.41) CYP3A4CYP2C9GRM5
SCHEMBL4177596 0.82 PTGES (0.47) CYP2C9GRM5MEN1KMT2A
SCHEMBL4175948 0.82 ALDH1A1 (0.43) KDM4ETSHRGRM5MAPTALDH1A1
SCHEMBL4181892 0.80 NPSR1 (0.40) CYP3A4CYP2C9GRM5
SCHEMBL4174379 0.79 CHRNA7 (0.45) RAB9ATDP1GRM5NPC1MEN1
SCHEMBL4178915 0.79 TAAR1 (0.43) KDM4EATMGRM5ALDH1A1MEN1
SCHEMBL4175735 0.78 FFAR1 (0.41) CYP3A4CYP2C9GRM5
SCHEMBL4164433 0.78 AOC3 (0.44) RAB9AKDM4ECYP2C9GRM5NPC1
SCHEMBL4164285 0.77 TAAR1 (0.45) RAB9AGRM5NPC1MAPT
SCHEMBL4175879 0.77 LMNA (0.54) RAB9AKDM4ETDP1NPC1MAPT

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 RAB9A 4846/4885KDM4E 1802/4885TDP1 3037/4885

“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.