SCHEMBL4185070

SCHEMBL4185070

O=C(C#Cc1cc(Cl)cc(Cl)c1)NCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.59
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
TRPV1 Q8NER1 3/20 0.46
LIPG Q9Y5X9 3/20 0.45
CNR1 P21554 2/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
LIPC P11150 1/20 0.41
TSHR P16473 1/20 0.40
KCNH2 Q12809 1/20 0.40
SLC6A5 Q9Y345 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
SCHEMBL4181751 0.87 PYGL (0.59) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4173472 0.85 PYGL (0.60) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4174165 0.84 CNR1 (0.50) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4181881 0.84 ALDH1A1 (0.54) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4164309 0.84 CNR1 (0.50) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4168536 0.84 NPC1 (0.48) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4170552 0.82 PYGL (0.57) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4168072 0.82 PYGL (0.50) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4170483 0.82 PYGL (0.56) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4171355 0.82 PYGL (0.56) PYGLPLAAT3PLAAT5PLAAT2PLAAT4

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 422/4885PLAAT3 2664/4885PLAAT5 2707/4885

“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.