SCHEMBL4170485

SCHEMBL4170485

Cc1cc(C)cc(C#CC(=O)NCC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
UTS2R Q9UKP6 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TACR1 P25103 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL4179271 0.89 FFAR1 (0.44) CTSBCTSLCTSSUTS2RCNR1
SCHEMBL4185818 0.87 UTS2R (0.51) UTS2RCNR1CNR2MEN1KMT2A
SCHEMBL4181930 0.85 NPC1 (0.46) UTS2RCNR1CNR2TACR1MEN1
SCHEMBL4181905 0.84 ERCC1 (0.39) UTS2RTACR1TDP1MEN1KMT2A
SCHEMBL4166970 0.83 TACR1 (0.47) UTS2RCNR1CNR2TACR1KDM4E
SCHEMBL4185062 0.81 NPC1 (0.39) UTS2RTACR1MEN1KMT2AFFAR1
SCHEMBL4179336 0.79 TP53 (0.41) CNR1CNR2TACR1MEN1KMT2A
SCHEMBL4175314 0.79 GFER (0.45) TACR1FFAR1LMNA
SCHEMBL4173488 0.78 GPR139 (0.45) CNR1CNR2TACR1FFAR1LMNA
SCHEMBL4181745 0.78 MTNR1A (0.50) TDP1MEN1KMT2AFFAR1POLB

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 CTSB 2062/4885CTSL 1282/4885CTSS 1139/4885

“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.