SCHEMBL4183641

SCHEMBL4183641

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.54
PYGL P06737 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
PLAAT3 P53816 2/20 0.44
PLAAT5 Q96KN8 2/20 0.44
PLAAT2 Q9NWW9 2/20 0.44
PLAAT4 Q9UL19 2/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4179866 0.91 ALDH1A1 (0.56) CNR1PYGLALDH1A1KMT2ASMN1; SMN2
SCHEMBL4186379 0.89 ALDH1A1 (0.52) CNR1PYGLALDH1A1KMT2ASMN1; SMN2
SCHEMBL4174070 0.88 KMT2A (0.55) PYGLALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL4182330 0.87 ALDH1A1 (0.52) CNR1PYGLALDH1A1KMT2ASMN1; SMN2
SCHEMBL4170422 0.86 CNR1 (0.54) CNR1PYGLALDH1A1KMT2ASMN1; SMN2
SCHEMBL4174399 0.85 CNR1 (0.56) CNR1PYGLALDH1A1KMT2ASMN1; SMN2
SCHEMBL4181881 0.85 ALDH1A1 (0.54) CNR1PYGLALDH1A1KMT2ASMN1; SMN2
SCHEMBL4173101 0.85 ALDH1A1 (0.61) CNR1PYGLALDH1A1KMT2ASMN1; SMN2
SCHEMBL4181916 0.83 CNR1 (0.51) CNR1PYGLALDH1A1KMT2ASMN1; SMN2
SCHEMBL4164408 0.83 PYGL (0.48) CNR1PYGLALDH1A1KMT2ASMN1; SMN2

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 396/4885PYGL 422/4885ALDH1A1 2932/4885

“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.