SCHEMBL4171643

SCHEMBL4171643

O=C(C#Cc1cccc(Cl)c1)NCCc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
PYGL P06737 1/20 0.48
PDE4B Q07343 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HIF1A Q16665 4/20 0.41
AKR1C3 P42330 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
SNCA P37840 2/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL4182549 0.86 PYGL (0.48) CNR1PYGLMEN1KMT2ANPC1
SCHEMBL4181362 0.85 CNR1 (0.53) CNR1PYGLKMT2ASNCA
SCHEMBL4181662 0.84 MTNR1A (0.54) CNR1PYGLMEN1KMT2ANPC1
SCHEMBL4174070 0.83 KMT2A (0.55) PYGLMEN1KMT2ANPC1RAB9A
SCHEMBL4186379 0.82 ALDH1A1 (0.52) CNR1PYGLMEN1KMT2ATDP1
SCHEMBL4179866 0.81 ALDH1A1 (0.56) CNR1PYGLMEN1KMT2ANPC1
SCHEMBL4183641 0.81 CNR1 (0.54) CNR1PYGLMEN1KMT2ANPC1
SCHEMBL4181271 0.80 PYGL (0.44) PYGLMEN1KMT2ANPC1RAB9A
SCHEMBL4175879 0.78 LMNA (0.54) CNR1PYGLMEN1KMT2ATDP1
SCHEMBL4173101 0.78 ALDH1A1 (0.61) CNR1PYGLMEN1KMT2AHIF1A

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 7 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
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 422/4885PDE4B 3711/4885

“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.