SCHEMBL4174419

SCHEMBL4174419

Cc1ccc(CCNC(=O)C#Cc2cc(C)cc(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
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
CNR1 P21554 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
F13A1 P00488 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4180518 0.91 HPGD (0.48) FFAR1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL4181887 0.90 POLB (0.53) FFAR1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL4188513 0.90 FFAR1 (0.54) FFAR1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL4164309 0.88 CNR1 (0.50) NPC1RAB9ASMN1; SMN2PLAAT3PLAAT5
SCHEMBL4171249 0.88 FFAR1 (0.53) FFAR1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL4164307 0.86 NPC1 (0.55) FFAR1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL4183622 0.85 ESRRG (0.46) FFAR1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL4177570 0.83 HPGD (0.49) FFAR1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL4175354 0.83 HPGD (0.49) FFAR1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL4172828 0.83 RAB9A (0.58) FFAR1NPC1RAB9APLAAT3PLAAT5

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.