SCHEMBL4179336

SCHEMBL4179336

Cc1ccccc1C#CC(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 5/20 0.41
CHRM2 P08172 1/20 0.41
S1PR1 P21453 1/20 0.41
FPR1 P21462 1/20 0.41
FPR3 P25089 1/20 0.41
GPR183 P32249 1/20 0.41
APLNR P35414 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
LMNA P02545 2/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TACR1 P25103 1/20 0.38
KDM1A O60341 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4185964 0.91 FFAR1 (0.42) TP53SMN1; SMN2FFAR1LMNACNR1
SCHEMBL4177405 0.83 MME (0.41) SMN1; SMN2LMNACNR1CNR2TACR1
SCHEMBL4181930 0.80 NPC1 (0.46) LMNACNR1CNR2TACR1KDM1A
SCHEMBL4185818 0.80 UTS2R (0.51) FFAR1LMNACNR1CNR2MEN1
SCHEMBL4170485 0.79 CTSB (0.42) FFAR1LMNACNR1CNR2MTNR1A
SCHEMBL4181905 0.78 ERCC1 (0.39) TP53SMN1; SMN2LMNATACR1MEN1
SCHEMBL4179271 0.77 FFAR1 (0.44) FFAR1FFAR4LMNACNR1CNR2
SCHEMBL4185062 0.77 NPC1 (0.39) FFAR1FFAR4TACR1MEN1KMT2A
SCHEMBL4181870 0.76 P2RX7 (0.48) TP53SMN1; SMN2LMNACNR1CNR2
SCHEMBL4178905 0.76 MME (0.45) SMN1; SMN2TACR1

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 TP53 3272/4885SMN1; SMN2 4869/4885FFAR1 4316/4885

“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.