SCHEMBL4185964

SCHEMBL4185964

Cc1cccc(C#CC(=O)NCC(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CASR P41180 1/20 0.36
BRD4 O60885 1/20 0.36
TACR1 P25103 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4179336 0.91 TP53 (0.41) FFAR1CNR1CNR2TP53SMN1; SMN2
SCHEMBL4185818 0.80 UTS2R (0.51) FFAR1CNR1CNR2MEN1KMT2A
SCHEMBL4177405 0.80 MME (0.41) CNR1CNR2SMN1; SMN2LMNATACR1
SCHEMBL4185037 0.79 FFAR1 (0.51) FFAR1SMN1; SMN2KMT2ALMNATAAR1
SCHEMBL4181930 0.77 NPC1 (0.46) CNR1CNR2MEN1KMT2ALMNA
SCHEMBL4179271 0.76 FFAR1 (0.44) FFAR1CNR1CNR2MEN1KMT2A
SCHEMBL4170485 0.76 CTSB (0.42) FFAR1CNR1CNR2MEN1KMT2A
SCHEMBL4181905 0.74 ERCC1 (0.39) TP53SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4175301 0.74 FFAR1 (0.51) FFAR1CNR1TP53SMN1; SMN2KMT2A
SCHEMBL4185062 0.73 NPC1 (0.39) FFAR1MEN1KMT2ATACR1UTS2R

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 4316/4885CNR1 396/4885CNR2 62/4885

“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.