SCHEMBL4178981

SCHEMBL4178981

Cc1ccc(C#CC(=O)NCCc2ccccc2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
PYGL P06737 1/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4180623 0.89 NPC1 (0.45) TAAR1PYGLTP53NPC1RAB9A
SCHEMBL4171263 0.89 NPC1 (0.45) TAAR1PYGLNPC1RAB9APOLB
SCHEMBL4172828 0.85 RAB9A (0.58) NPC1RAB9APOLBCA12CA2
SCHEMBL4188618 0.84 NPC1 (0.58) TAAR1TP53NPC1RAB9APOLB
SCHEMBL4181887 0.84 POLB (0.53) TAAR1NPC1RAB9APOLBMAPT
SCHEMBL4176134 0.83 CA12 (0.53) TAAR1NPC1RAB9APOLBL3MBTL1
SCHEMBL4178350 0.80 NPC1 (0.49) TAAR1PYGLNPC1RAB9AMAPT
SCHEMBL4174394 0.80 RAB9A (0.58) TAAR1NPC1RAB9APOLBL3MBTL1
SCHEMBL4164307 0.80 NPC1 (0.55) TP53NPC1RAB9AMAPTHPGD
SCHEMBL4183622 0.80 ESRRG (0.46) PYGLNPC1RAB9APOLBMAPT

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 TAAR1 3070/4885PYGL 422/4885TP53 3272/4885

“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.