SCHEMBL4188513

SCHEMBL4188513

Cc1ccc(C#CC(=O)NCCc2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ACACB O00763 7/20 0.49
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
PLAAT4 Q9UL19 2/20 0.48
HPGD P15428 1/20 0.48
CNR1 P21554 1/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
PYGL P06737 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL4175354 0.93 HPGD (0.49) FFAR1NPC1RAB9ASMN1; SMN2ACACB
SCHEMBL4177570 0.93 HPGD (0.49) FFAR1NPC1RAB9ASMN1; SMN2ACACB
SCHEMBL4172828 0.93 RAB9A (0.58) FFAR1NPC1RAB9APLAAT3PLAAT5
SCHEMBL4164307 0.93 NPC1 (0.55) FFAR1NPC1RAB9ASMN1; SMN2ACACB
SCHEMBL4174419 0.90 FFAR1 (0.50) FFAR1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL4181267 0.89 PLAAT3 (0.46) FFAR1NPC1RAB9ASMN1; SMN2ACACB
SCHEMBL4173472 0.87 PYGL (0.60) FFAR1SMN1; SMN2PLAAT3PLAAT5PLAAT2
SCHEMBL4183622 0.87 ESRRG (0.46) FFAR1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL4164309 0.86 CNR1 (0.50) NPC1RAB9ASMN1; SMN2PLAAT3PLAAT5
SCHEMBL4171249 0.86 FFAR1 (0.53) FFAR1NPC1RAB9ASMN1; SMN2PLAAT3

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.