SCHEMBL4174162

SCHEMBL4174162

O=C(C#Cc1ccc(F)cc1)NCCc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
HPGD P15428 1/20 0.51
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CNR1 P21554 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ACACB O00763 1/20 0.46
PYGL P06737 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
SCHEMBL4169211 0.93 CNR1 (0.58) FFAR1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4177570 0.93 HPGD (0.49) FFAR1HPGDPLAAT3PLAAT5PLAAT2
SCHEMBL4175354 0.93 HPGD (0.49) FFAR1HPGDPLAAT3PLAAT5PLAAT2
SCHEMBL4174394 0.93 RAB9A (0.58) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4178343 0.93 RAB9A (0.55) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4171377 0.91 PLAAT3 (0.47) FFAR1HPGDPLAAT3PLAAT5PLAAT2
SCHEMBL4174165 0.86 CNR1 (0.50) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4180518 0.86 HPGD (0.48) FFAR1HPGDPLAAT3PLAAT5PLAAT2
SCHEMBL4188513 0.84 FFAR1 (0.54) FFAR1HPGDPLAAT3PLAAT5PLAAT2
SCHEMBL4182330 0.83 ALDH1A1 (0.52) HPGDPLAAT3PLAAT5PLAAT2PLAAT4

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 4316/4885HPGD 381/4885PLAAT3 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.