SCHEMBL4185818

SCHEMBL4185818

Cc1ccc(C#CC(=O)NCC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
VCP P55072 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CASR P41180 1/20 0.44
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
REN P00797 1/20 0.41
LMNA P02545 1/20 0.40
FFAR1 O14842 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL4181930 0.90 NPC1 (0.46) UTS2RCNR1CNR2MEN1KMT2A
SCHEMBL4170485 0.87 CTSB (0.42) UTS2RCNR1CNR2MEN1KMT2A
SCHEMBL4175314 0.86 GFER (0.45) NPC1RAB9ALMNAFFAR1MMP2
SCHEMBL4179271 0.85 FFAR1 (0.44) UTS2RCNR1CNR2MEN1KMT2A
SCHEMBL4181905 0.83 ERCC1 (0.39) UTS2RMEN1KMT2AALDH1A1RAB9A
SCHEMBL4180638 0.82 TACR1 (0.53) CNR2MEN1KMT2A
SCHEMBL4185062 0.82 NPC1 (0.39) UTS2RVCPMEN1KMT2ANPC1
SCHEMBL4179336 0.80 TP53 (0.41) CNR1CNR2MEN1KMT2ALMNA
SCHEMBL4185964 0.80 FFAR1 (0.42) UTS2RCNR1CNR2MEN1KMT2A
SCHEMBL4166970 0.79 TACR1 (0.47) UTS2RCNR1CNR2ALDH1A1

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 UTS2R 1476/4885CNR1 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.