SCHEMBL21645375

SCHEMBL21645375

C[C@H]1C[C@@H](Oc2cnc(C#N)cn2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.44
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
CHEK1 O14757 8/20 0.34
KCNH2 Q12809 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHEK2 O96017 2/20 0.33
PLAT P00750 1/20 0.33

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
SCHEMBL30991254 1.00 GPR119 (0.44) GPR119TRPC3TRPC6CHEK1KCNH2
Hydrochloric Acid SCHEMBL30991239 0.99 GPR119 (0.43) GPR119TRPC3TRPC6CHEK1KCNH2
Hydrochloric Acid SCHEMBL21645371 0.99 GPR119 (0.43) GPR119TRPC3TRPC6CHEK1KCNH2
SCHEMBL31656637 0.78 GPR119 (0.44) GPR119TRPC3TRPC6CHEK1KCNH2
SCHEMBL2550744 0.77 GPR119 (0.56) GPR119TRPC3TRPC6CHEK1CHEK2
SCHEMBL24242875 0.76 GPR119 (0.51) GPR119TRPC3TRPC6CHEK1KCNH2
SCHEMBL18855893 0.76 GPR119 (0.47) GPR119TRPC3TRPC6CHEK1KCNH2
SCHEMBL18855597 0.76 GPR119 (0.47) GPR119TRPC3TRPC6CHEK1KCNH2
SCHEMBL23481155 0.73 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23924451 0.72 GPR119 (0.53) GPR119TRPC3TRPC6CHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999726-B2 5-methyl-4-fluoro-thiazol-2-yl compounds ELI LILLY AND COMPANY 2024-06-04 US disclosed
EP-3829716-B1 5-METHYL-4-FLUORO-THIAZOL-2-YL COMPOUNDS LILLY CO ELI (US) 2023-02-01 EP disclosed
EP-3829716-B1 5-METHYL-4-FLUORO-THIAZOL-2-YL COMPOUNDS LILLY CO ELI (US) 2023-02-01 EP disclosed
US-20210323958-A1 5-METHYL-4-FLUORO-THIAZOL-2-YL COMPOUNDS ELI LILLY AND COMPANY 2021-10-21 US disclosed
US-20210323958-A1 5-METHYL-4-FLUORO-THIAZOL-2-YL COMPOUNDS ELI LILLY AND COMPANY 2021-10-21 US disclosed
EP-3829716-A1 5-METHYL-4-FLUORO-THIAZOL-2-YL COMPOUNDS Eli Lilly and Company (US) 2021-06-09 EP disclosed
CN-112469476-A 5-methyl-4-fluoro-thiazol-2-yl compounds 伊莱利利公司 2021-03-09 CN disclosed
WO-2020028115-A1 5-METHYL-4-FLUORO-THIAZOL-2-YL COMPOUNDS ELI LILLY AND COMPANY (US) 2020-02-06 WO disclosed
WO-2020028115-A1 5-METHYL-4-FLUORO-THIAZOL-2-YL COMPOUNDS ELI LILLY AND COMPANY (US) 2020-02-06 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 (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-20210323958-A1 5-METHYL-4-FLUORO-THIAZOL-2-YL COMPOUNDS MAPT, PSEN2, PSEN1 GPR119 316/4885TRPC3 3196/4885TRPC6 2339/4885
US-11999726-B2 5-methyl-4-fluoro-thiazol-2-yl compounds MAPT, PSEN2, PSEN1 GPR119 316/4885TRPC3 3196/4885TRPC6 2339/4885

“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.