SCHEMBL4175239

SCHEMBL4175239

O=C(C#Cc1ccccc1C(F)(F)F)NCCc1cccs1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TAAR1 Q96RJ0 1/20 0.43
ADAM17 P78536 7/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
LMNA P02545 2/20 0.40
FFAR1 O14842 1/20 0.40
HSD11B1 P28845 1/20 0.40
PDE4B Q07343 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4175679 0.84 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TAAR1ADAM17
SCHEMBL4173436 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TAAR1ADAM17
SCHEMBL4181587 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TAAR1ADAM17
SCHEMBL4183694 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TAAR1ADAM17
SCHEMBL4171878 0.79 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TAAR1ADAM17
SCHEMBL4179889 0.78 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TAAR1ADAM17
SCHEMBL4183651 0.77 MEN1 (0.46) NPC1RAB9ASMN1; SMN2TAAR1ADAM17
SCHEMBL4183376 0.77 LMNA (0.47) NPC1RAB9ASMN1; SMN2LMNAHSD11B1
SCHEMBL4179580 0.74 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TAAR1ADAM17
SCHEMBL4177590 0.73 MAPT (0.67) NPC1RAB9ALMNAKDM4EMAPT

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.