SCHEMBL4178343

SCHEMBL4178343

O=C(C#Cc1ccccc1)NCCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
FFAR1 O14842 1/20 0.50
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4174394 0.94 RAB9A (0.58) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4174162 0.93 FFAR1 (0.54) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4176134 0.90 CA12 (0.53) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4177570 0.86 HPGD (0.49) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4175354 0.86 HPGD (0.49) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4169211 0.86 CNR1 (0.58) RAB9ANPC1FFAR1
SCHEMBL4176072 0.86 LMNA (0.55) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4164307 0.86 NPC1 (0.55) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4174490 0.84 FFAR1 (0.50) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4186379 0.84 ALDH1A1 (0.52) RAB9ANPC1PLAAT3PLAAT5PLAAT2

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 RAB9A 4846/4885NPC1 2016/4885PLAAT3 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.