SCHEMBL4182280

SCHEMBL4182280

O=C(C#Cc1ccccc1F)NCCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.46
RAB9A P51151 3/20 0.45
CNR1 P21554 1/20 0.45
NPC1 O15118 2/20 0.45
HSD11B1 P28845 1/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 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
SCHEMBL4186387 0.88 MME (0.62) SMN1; SMN2MMEECE1ADORA2AADORA1
SCHEMBL4175122 0.85 MAPK1 (0.51) SMN1; SMN2HTTL3MBTL1MAPK1RAB9A
SCHEMBL4181423 0.85 MAPK1 (0.48) SMN1; SMN2HTTMAPK1RAB9ACNR1
SCHEMBL4183376 0.84 LMNA (0.47) SMN1; SMN2HTTL3MBTL1MAPK1RAB9A
SCHEMBL4171931 0.82 HTT (0.54) SMN1; SMN2MMEECE1HTTL3MBTL1
SCHEMBL4181726 0.82 MAPK1 (0.46) SMN1; SMN2HTTMAPK1RAB9ACNR1
SCHEMBL4180099 0.82 RAB9A (0.52) SMN1; SMN2HTTL3MBTL1MAPK1RAB9A
SCHEMBL4176074 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MMEECE1ADORA2AADORA1
SCHEMBL4169221 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MMEECE1ADORA2AADORA1
SCHEMBL4183222 0.79 ALDH1A1 (0.54) SMN1; SMN2HTTMAPK1RAB9ANPC1

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 SMN1; SMN2 4869/4885MME 24/4885ECE1 166/4885

“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.