SCHEMBL4183622

SCHEMBL4183622

Cc1ccc(CCNC(=O)C#Cc2ccc(O)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.46
PYGL P06737 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR1 O14842 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
ALPL P05186 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
SCHEMBL4188513 0.87 FFAR1 (0.54) PYGLNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL4177787 0.86 PYGL (0.43) PYGLNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL4178958 0.86 PYGL (0.58) ESRRGPYGLHPGDALDH1A1KDM4E
SCHEMBL4174419 0.85 FFAR1 (0.50) PYGLNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL4171249 0.85 FFAR1 (0.53) PYGLNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL4175354 0.81 HPGD (0.49) NPC1RAB9ASMN1; SMN2FFAR1HPGD
SCHEMBL4177570 0.81 HPGD (0.49) NPC1RAB9ASMN1; SMN2FFAR1HPGD
SCHEMBL4164307 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2FFAR1HPGD
SCHEMBL4172828 0.80 RAB9A (0.58) NPC1RAB9AFFAR1ALDH1A1KDM4E
SCHEMBL4164309 0.80 CNR1 (0.50) PYGLNPC1RAB9ASMN1; SMN2HPGD

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 ESRRG 1064/4885PYGL 422/4885NPC1 2016/4885

“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.