SCHEMBL4177570

SCHEMBL4177570

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
FFAR1 O14842 2/20 0.48
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.45
TP53 P04637 2/20 0.44
ACACB O00763 2/20 0.44
SLC1A2 P43004 1/20 0.43
KCNH2 Q12809 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 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
SCHEMBL4175354 1.00 HPGD (0.49) HPGDFFAR1MAPTNPC1RAB9A
SCHEMBL4188513 0.93 FFAR1 (0.54) HPGDFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4174162 0.93 FFAR1 (0.54) HPGDFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4180518 0.88 HPGD (0.48) HPGDFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4169211 0.86 CNR1 (0.58) HPGDFFAR1MAPTNPC1RAB9A
SCHEMBL4172828 0.86 RAB9A (0.58) FFAR1NPC1RAB9AALDH1A1KMT2A
SCHEMBL4164307 0.86 NPC1 (0.55) HPGDFFAR1MAPTNPC1RAB9A
SCHEMBL4174394 0.86 RAB9A (0.58) FFAR1NPC1RAB9AALDH1A1KMT2A
SCHEMBL4178343 0.86 RAB9A (0.55) FFAR1NPC1RAB9AALDH1A1KMT2A
SCHEMBL4181267 0.86 PLAAT3 (0.46) FFAR1NPC1RAB9ASMN1; SMN2KMT2A

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 HPGD 381/4885FFAR1 4316/4885MAPT 2674/4885

“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.