SCHEMBL4171249

SCHEMBL4171249

Cc1ccc(CCNC(=O)C#Cc2cccc(C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 2/20 0.46
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.44
PYGL P06737 1/20 0.43
AKR1C3 P42330 1/20 0.43
EPHX2 P34913 1/20 0.41

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
SCHEMBL4188618 0.92 NPC1 (0.58) FFAR1NPC1RAB9AALDH1A1PLAAT3
SCHEMBL4175187 0.91 ALDH1A1 (0.58) FFAR1NPC1RAB9AALDH1A1LMNA
SCHEMBL4174109 0.89 FFAR1 (0.50) FFAR1NPC1RAB9APLAAT3PLAAT5
SCHEMBL4185879 0.89 PYGL (0.49) NPC1RAB9AALDH1A1PLAAT3PLAAT5
SCHEMBL4174419 0.88 FFAR1 (0.50) FFAR1NPC1RAB9AALDH1A1PLAAT3
SCHEMBL4164307 0.88 NPC1 (0.55) FFAR1NPC1RAB9AALDH1A1PLAAT3
SCHEMBL4175049 0.87 PYGL (0.56) FFAR1NPC1RAB9AALDH1A1PLAAT3
SCHEMBL4188321 0.87 FFAR1 (0.54) FFAR1RAB9AALDH1A1LMNATP53
SCHEMBL4188513 0.86 FFAR1 (0.54) FFAR1NPC1RAB9AALDH1A1PLAAT3
SCHEMBL4181916 0.85 CNR1 (0.51) NPC1RAB9AALDH1A1PLAAT3PLAAT5

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 FFAR1 4316/4885NPC1 2016/4885RAB9A 4846/4885

“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.