SCHEMBL4177905

SCHEMBL4177905

Cc1ccc(C#CC(=O)NCCc2ccccc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
PLAAT3 P53816 2/20 0.47
PLAAT5 Q96KN8 2/20 0.47
PLAAT2 Q9NWW9 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47
HPGD P15428 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 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
SCHEMBL4181935 0.84 PLAAT3 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1PLAAT3
SCHEMBL4185037 0.83 FFAR1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4183222 0.82 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4172828 0.81 RAB9A (0.58) NPC1RAB9AALDH1A1LMNAPLAAT3
SCHEMBL4188618 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4181887 0.80 POLB (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4164322 0.79 NPC1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4164307 0.79 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1PLAAT3
SCHEMBL4175301 0.78 FFAR1 (0.51) NPC1RAB9ASMN1; SMN2LMNAPLAAT3
SCHEMBL4178981 0.78 TAAR1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1

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 NPC1 2016/4885RAB9A 4846/4885SMN1; SMN2 4869/4885

“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.