SCHEMBL4171872

SCHEMBL4171872

O=C(C#Cc1ccc(F)cc1F)NCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.47
CNR1 P21554 2/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
CNR2 P34972 1/20 0.45
ECE1 P42892 6/20 0.44
MME P08473 5/20 0.44
TRPV1 Q8NER1 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LIPG Q9Y5X9 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL4167091 0.88 ECE1 (0.51) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4186377 0.87 PLAAT3 (0.49) PYGLCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL4182119 0.85 ALDH1A1 (0.48) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4174117 0.83 ECE1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4ECE1
SCHEMBL4180153 0.83 MME (0.59) PLAAT3PLAAT5PLAAT2PLAAT4ECE1
SCHEMBL4168072 0.82 PYGL (0.50) PYGLCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL4171418 0.79 CNR1 (0.50) CNR1MEN1KMT2A
SCHEMBL4181732 0.78 PLAAT3 (0.49) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4170552 0.77 PYGL (0.57) PYGLCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL4185070 0.77 PYGL (0.59) PYGLCNR1PLAAT3PLAAT5PLAAT2

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
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

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 422/4885CNR1 396/4885PLAAT3 2664/4885

“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.