SCHEMBL4174399

SCHEMBL4174399

O=C(C#Cc1cccc(Cl)c1)NCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.56
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PLA2G1B P04054 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
PYGL P06737 1/20 0.45
TRPV1 Q8NER1 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.44
SNCA P37840 2/20 0.43
TAAR1 Q96RJ0 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
SCHEMBL4174195 0.90 CNR1 (0.50) CNR1LMNAKMT2AMEN1CYP1A2
SCHEMBL4179866 0.88 ALDH1A1 (0.56) CNR1HPGDKMT2AMEN1GAA
SCHEMBL4172837 0.88 TRPV1 (0.51) CNR1HPGDKMT2AMEN1GAA
SCHEMBL4183641 0.85 CNR1 (0.54) CNR1HPGDKMT2AMEN1PYGL
SCHEMBL4174070 0.85 KMT2A (0.55) LMNAHPGDKMT2AMEN1PYGL
SCHEMBL4170422 0.83 CNR1 (0.54) CNR1LMNAHPGDKMT2AMEN1
SCHEMBL4173101 0.82 ALDH1A1 (0.61) CNR1HPGDKMT2AMEN1PYGL
SCHEMBL4181881 0.82 ALDH1A1 (0.54) CNR1HPGDKMT2AMEN1GAA
SCHEMBL4186379 0.81 ALDH1A1 (0.52) CNR1LMNAHPGDKMT2AMEN1
SCHEMBL4181916 0.81 CNR1 (0.51) CNR1LMNAHPGDKMT2AMEN1

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 4 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
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 1560/4885HPGD 381/4885

“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.