SCHEMBL4164433

SCHEMBL4164433

COc1ccccc1CCN(C)C(=O)C#Cc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CNR1 P21554 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PTGES O14684 1/20 0.39
CYP2C9 P11712 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
BCHE P06276 2/20 0.38
CHRM2 P08172 2/20 0.38
ACHE P22303 2/20 0.38
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4181892 0.86 NPSR1 (0.40) PTGESCYP2C9PTGDR2GRM5NPSR1
SCHEMBL4178915 0.85 TAAR1 (0.43) AOC3MEN1KMT2ACNR1LMNA
SCHEMBL4164334 0.83 ALOX5 (0.39) CNR1GAAPTGESACHEGRM5
SCHEMBL4177596 0.82 PTGES (0.47) AOC3MEN1KMT2APTGESCYP2C9
SCHEMBL4173148 0.81 GRM5 (0.41) PTGESCYP2C9PTGDR2GRM5NPSR1
SCHEMBL4176091 0.80 ALDH1A1 (0.45) AOC3LMNAPTGESGRM5RAB9A
SCHEMBL4181662 0.79 MTNR1A (0.54) MEN1KMT2ACNR1MAPTMTNR1A
SCHEMBL4175735 0.78 FFAR1 (0.41) AOC3PTGESCYP2C9PTGDR2GRM5
SCHEMBL4171607 0.78 RAB9A (0.48) MEN1KMT2AMAPTCYP2C9GRM5
SCHEMBL4175948 0.77 ALDH1A1 (0.43) AOC3MAPTLMNAPTGESGRM5

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 AOC3 933/4885MEN1 3427/4885KMT2A 2691/4885

“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.