SCHEMBL4180632

SCHEMBL4180632

Cc1ccc(CCNC(=O)C#Cc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.50
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4171418 0.88 CNR1 (0.50) CNR1LMNAKMT2AALDH1A1GAA
SCHEMBL4168072 0.86 PYGL (0.50) CNR1LMNAKMT2AHDAC8MAPT
SCHEMBL4171364 0.84 CNR1 (0.53) CNR1LMNAKMT2AALDH1A1GAA
SCHEMBL4164309 0.81 CNR1 (0.50) CNR1LMNAPOLBKMT2AALDH1A1
SCHEMBL4185879 0.81 PYGL (0.49) CNR1LMNAPOLBKMT2AALDH1A1
SCHEMBL4174117 0.78 ECE1 (0.48) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL4188513 0.77 FFAR1 (0.54) CNR1POLBKMT2AALDH1A1NPC1
SCHEMBL4181935 0.77 PLAAT3 (0.49) CNR1POLBKMT2AALDH1A1CYP1A2
SCHEMBL4174419 0.77 FFAR1 (0.50) CNR1POLBKMT2AALDH1A1NPC1
SCHEMBL4173472 0.77 PYGL (0.60) CNR1KMT2ASMN1; SMN2

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 CNR1 396/4885LMNA 1560/4885POLB 2503/4885

“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.