SCHEMBL4181892

SCHEMBL4181892

Cc1ccccc1CCN(C)C(=O)C#Cc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
GRM5 P41594 8/20 0.39
PTGES O14684 2/20 0.38
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.36
PTPRC P08575 1/20 0.36
CYP2C9 P11712 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HCRTR1 O43613 1/20 0.35
KCNH2 Q12809 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
ALOX5 P09917 1/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4178915 0.87 TAAR1 (0.43) NPSR1GRM5PTGESPTPRC
SCHEMBL4164433 0.86 AOC3 (0.44) NPSR1GRM5PTGESCYP2C9PTGDR2
SCHEMBL4164334 0.84 ALOX5 (0.39) NPSR1GRM5PTGESUTS2RALOX5
SCHEMBL4173148 0.84 GRM5 (0.41) NPSR1GRM5PTGESCYP3A4PTPRC
SCHEMBL4177596 0.84 PTGES (0.47) NPSR1GRM5PTGESPTPRCCYP2C9
SCHEMBL4175735 0.82 FFAR1 (0.41) NPSR1GRM5PTGESCYP3A4PTPRC
SCHEMBL4164285 0.81 TAAR1 (0.45) NPSR1GRM5PTGESHSP90AA1TP53
SCHEMBL4171607 0.80 RAB9A (0.48) GRM5CYP3A4CYP2C9
SCHEMBL4175948 0.79 ALDH1A1 (0.43) NPSR1GRM5PTGESTP53
SCHEMBL4176091 0.79 ALDH1A1 (0.45) NPSR1GRM5PTGESCYP3A4PTPRC

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 NPSR1 371/4885GRM5 2902/4885PTGES 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.