SCHEMBL4175976

SCHEMBL4175976

N#Cc1cccc(C#CC(=O)NCCc2ccc(Cl)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.58
FFAR1 O14842 1/20 0.50
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTT P42858 1/20 0.46
PYGL P06737 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CCR3 P51677 1/20 0.45
VNN1 O95497 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CNR2 P34972 1/20 0.43
SNCA P37840 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4171598 0.89 FFAR1 (0.53) CNR1FFAR1LMNAPYGLCCR3
SCHEMBL4170483 0.88 PYGL (0.56) CNR1FFAR1PYGLGAARAB9A
SCHEMBL4174490 0.88 FFAR1 (0.50) CNR1FFAR1KMT2ACCR3VNN1
SCHEMBL4174109 0.88 FFAR1 (0.50) CNR1FFAR1PYGLCCR3GAA
SCHEMBL4175187 0.85 ALDH1A1 (0.58) CNR1FFAR1LMNACYP1A2CYP2D6
SCHEMBL4176072 0.84 LMNA (0.55) CNR1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL4182409 0.82 HTT (0.60) CNR1FFAR1LMNAKMT2AMEN1
SCHEMBL4174070 0.81 KMT2A (0.55) LMNAKMT2AMEN1MAPTHTT
SCHEMBL4185879 0.81 PYGL (0.49) CNR1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL4186379 0.81 ALDH1A1 (0.52) CNR1LMNACYP1A2CYP2D6CYP2C19

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 396/4885FFAR1 4316/4885LMNA 1560/4885

“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.