SCHEMBL4176074

SCHEMBL4176074

Cc1cc(C#CC(=O)NCCc2ccccn2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CNR1 P21554 1/20 0.43
MME P08473 1/20 0.42
ECE1 P42892 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4169221 0.91 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1ALDH1A1MMEECE1
SCHEMBL4171931 0.84 HTT (0.54) SMN1; SMN2MAPK1CNR1MMEECE1
SCHEMBL4171592 0.84 HTT (0.52) SMN1; SMN2MAPK1ALDH1A1CNR1TAS1R3
SCHEMBL4169116 0.83 ALDH1A1 (0.47) SMN1; SMN2MAPK1ALDH1A1TAS1R3TAS1R1
SCHEMBL4171263 0.83 NPC1 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL4169286 0.83 KMT2A (0.48) SMN1; SMN2MAPK1ALDH1A1CNR1TAS1R3
SCHEMBL4166971 0.82 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1ALDH1A1CNR1TAS1R3
SCHEMBL4180099 0.81 RAB9A (0.52) SMN1; SMN2MAPK1ALDH1A1CNR1TAS1R3
SCHEMBL4175879 0.81 LMNA (0.54) SMN1; SMN2MAPK1ALDH1A1CNR1TAS1R3
SCHEMBL4168901 0.81 KDM4E (0.55) SMN1; SMN2MAPK1ALDH1A1CNR1TAS1R3

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 4869/4885MAPK1 4845/4885ALDH1A1 2932/4885

“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.