SCHEMBL4172828

SCHEMBL4172828

Cc1ccc(C#CC(=O)NCCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
PLAAT3 P53816 2/20 0.55
PLAAT5 Q96KN8 2/20 0.55
PLAAT2 Q9NWW9 2/20 0.55
PLAAT4 Q9UL19 2/20 0.55
FFAR1 O14842 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
VCP P55072 1/20 0.48
KDM4E B2RXH2 1/20 0.47
EPHX2 P34913 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP8 P22894 2/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL4164307 0.94 NPC1 (0.55) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4188513 0.93 FFAR1 (0.54) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4176134 0.90 CA12 (0.53) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4181887 0.87 POLB (0.53) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4177570 0.86 HPGD (0.49) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4175354 0.86 HPGD (0.49) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4174394 0.86 RAB9A (0.58) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4188618 0.85 NPC1 (0.58) RAB9ANPC1PLAAT3PLAAT5PLAAT2
SCHEMBL4178981 0.85 TAAR1 (0.46) RAB9ANPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL4179552 0.85 RAB9A (0.63) RAB9ANPC1ALDH1A1CYP1A2CYP3A4

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.