SCHEMBL4171355

SCHEMBL4171355

O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.56
TRPV1 Q8NER1 2/20 0.50
CNR1 P21554 2/20 0.46
KCNH2 Q12809 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45
PLAAT3 P53816 2/20 0.43
PLAAT5 Q96KN8 2/20 0.43
PLAAT2 Q9NWW9 2/20 0.43
PLAAT4 Q9UL19 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ACACB O00763 1/20 0.41
NR1I3 Q14994 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
GPR183 P32249 1/20 0.39

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
SCHEMBL4172837 0.85 TRPV1 (0.51) PYGLTRPV1CNR1PLAAT3PLAAT5
SCHEMBL4173472 0.84 PYGL (0.60) PYGLTRPV1CNR1KCNH2PLAAT3
SCHEMBL4181751 0.84 PYGL (0.59) PYGLTRPV1PLAAT3PLAAT5PLAAT2
SCHEMBL4171377 0.83 PLAAT3 (0.47) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4181267 0.82 PLAAT3 (0.46) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4181644 0.82 PLAAT3 (0.57) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4185070 0.82 PYGL (0.59) PYGLTRPV1CNR1KCNH2PLAAT3
SCHEMBL4174195 0.81 CNR1 (0.50) PYGLTRPV1CNR1PLAAT3PLAAT5
SCHEMBL4170552 0.80 PYGL (0.57) PYGLTRPV1CNR1KCNH2PLAAT3
SCHEMBL4178958 0.78 PYGL (0.58) PYGLTRPV1KCNH2PLAAT3PLAAT5

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 PYGL 422/4885TRPV1 1259/4885CNR1 396/4885

“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.