SCHEMBL4181644

SCHEMBL4181644

O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.57
PLAAT5 Q96KN8 1/20 0.57
PLAAT2 Q9NWW9 1/20 0.57
PLAAT4 Q9UL19 1/20 0.57
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
MLYCD O95822 2/20 0.49
SLC6A5 Q9Y345 1/20 0.47
TP53 P04637 1/20 0.47
TACR1 P25103 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MC4R P32245 1/20 0.46
FAAH O00519 1/20 0.45
FFAR1 O14842 1/20 0.44
CNR1 P21554 1/20 0.44
GLA P06280 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
SCHEMBL4171377 0.88 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4LTA4H
SCHEMBL4181267 0.87 PLAAT3 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4LTA4H
SCHEMBL4179552 0.87 RAB9A (0.63) RAB9ANPC1
SCHEMBL4176134 0.86 CA12 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A
SCHEMBL4172837 0.86 TRPV1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A
SCHEMBL4174394 0.85 RAB9A (0.58) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A
SCHEMBL4172828 0.82 RAB9A (0.58) PLAAT3PLAAT5PLAAT2PLAAT4EPHX2
SCHEMBL4171355 0.82 PYGL (0.56) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL4173140 0.82 L3MBTL1 (0.47) RAB9ANPC1CNR1
SCHEMBL4183694 0.81 NPC1 (0.48) RAB9ANPC1

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 PLAAT3 2664/4885PLAAT5 2707/4885PLAAT2 2933/4885

“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.