SCHEMBL4181745

SCHEMBL4181745

COc1cccc(C#CC(=O)NCC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.50
MTNR1B P49286 6/20 0.50
MAOB P27338 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
VCP P55072 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NLRP3 Q96P20 1/20 0.48
PTGES O14684 2/20 0.47
CASR P41180 1/20 0.47
FFAR1 O14842 1/20 0.47
BCHE P06276 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44

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
SCHEMBL4179271 0.84 FFAR1 (0.44) MEN1KMT2APTGESFFAR1EGLN1
SCHEMBL4181930 0.83 NPC1 (0.46) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL4173488 0.81 GPR139 (0.45) FFAR1
SCHEMBL4175962 0.81 FFAR1 (0.56) MTNR1AMTNR1BMAOBMEN1NPC1
SCHEMBL4170485 0.78 CTSB (0.42) MTNR1AMTNR1BTDP1MEN1POLB
SCHEMBL14907950 0.78 MTNR1A (0.51) MTNR1AMTNR1BMAOBVCPMEN1
SCHEMBL4185818 0.77 UTS2R (0.51) VCPMEN1NPC1RAB9AKMT2A
SCHEMBL4181905 0.77 ERCC1 (0.39) TDP1MEN1RAB9AKMT2A
SCHEMBL4169130 0.76 MTNR1A (0.55) MTNR1AMTNR1BMAOBMEN1NPC1
SCHEMBL4185062 0.76 NPC1 (0.39) VCPMEN1NPC1RAB9AKMT2A

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 MTNR1A 2154/4885MTNR1B 1840/4885MAOB 417/4885

“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.