SCHEMBL4179580

SCHEMBL4179580

O=C(C#Cc1ccc(Cl)cc1Cl)NCCc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
TAAR1 Q96RJ0 2/20 0.54
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
HDAC8 Q9BY41 1/20 0.45
ADAM17 P78536 5/20 0.42
PDE4B Q07343 1/20 0.42
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADAM10 O14672 2/20 0.41
MMP13 P45452 2/20 0.41
MMP12 P39900 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP14 P50281 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL4175856 0.82 NPC1 (0.54) NPC1RAB9ATAAR1LMNASMN1; SMN2
SCHEMBL4171364 0.80 CNR1 (0.53) NPC1RAB9ATAAR1LMNASMN1; SMN2
SCHEMBL4183651 0.79 MEN1 (0.46) NPC1RAB9ATAAR1LMNASMN1; SMN2
SCHEMBL4171878 0.79 NPC1 (0.56) NPC1RAB9ATAAR1LMNASMN1; SMN2
SCHEMBL4181587 0.77 NPC1 (0.51) NPC1RAB9ATAAR1LMNASMN1; SMN2
SCHEMBL4175679 0.77 NPC1 (0.49) NPC1RAB9ATAAR1LMNASMN1; SMN2
SCHEMBL4168072 0.77 PYGL (0.50) LMNAHDAC8HTT
SCHEMBL4173436 0.77 NPC1 (0.49) NPC1RAB9ATAAR1LMNASMN1; SMN2
SCHEMBL4180632 0.76 CNR1 (0.50) NPC1RAB9ALMNASMN1; SMN2HDAC8
SCHEMBL4171418 0.76 CNR1 (0.50) LMNAHDAC8HTTHPGD

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 4846/4885TAAR1 3070/4885

“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.