SCHEMBL23922943

SCHEMBL23922943

CC(C)C#Cc1ccc(NS(C)(=O)=O)c(COC2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.45
GPR119 Q8TDV5 12/20 0.42
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3CD O00329 1/20 0.38
STS P08842 2/20 0.37

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
SCHEMBL23923086 0.89 GPR119 (0.43) TRPV1GPR119STS
SCHEMBL23923085 0.84 GPR119 (0.47) TRPV1GPR119STS
SCHEMBL23922873 0.79 GPR119 (0.47) TRPV1GPR119STS
SCHEMBL23923045 0.75 TRPV1 (0.46) TRPV1GPR119NPC1ALDH1A1MAPT
SCHEMBL23923091 0.70 TRPV1 (0.43) TRPV1GPR119
SCHEMBL28674266 0.70 GPR119 (0.45) GPR119STS
SCHEMBL17129369 0.68 NPC1 (0.61) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL4760822 0.65 GPR119 (0.66) GPR119
SCHEMBL4675927 0.65 GPR119 (0.50) GPR119STS
SCHEMBL3249107 0.65 STS (0.58) GPR119NPC1HTTRAB9ASTS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091410-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-17 US disclosed
EP-3896060-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-08-16 EP disclosed
US-20220017514-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-20 US disclosed
EP-3896060-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-10-20 EP 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 (2 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-12091410-B2 Heterocyclic compound HCRTR2, HCRTR1, NTSR2 TRPV1 68/4885GPR119 56/4885NPC1 446/4885
US-20220017514-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NTSR2 TRPV1 68/4885GPR119 56/4885NPC1 446/4885

“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.