SCHEMBL25367392

SCHEMBL25367392

CC(C)CN1CC2(CCN(c3ccc(-c4cc5c(cn4)nc(-c4ccc(S(C)(=O)=O)cc4)n5C)cc3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.42
▸ CYP2D6 P10635 3/20 0.38
▸ KCNJ1 P48048 2/20 0.35
▸ PTGS2 P35354 3/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL30541576 1.00 GPR119 (0.42) GPR119CYP2D6KCNJ1PTGS2MAP4K1
SCHEMBL25364996 0.96 GPR119 (0.42) GPR119CYP2D6KCNJ1PTGS2CA12
SCHEMBL30541585 0.96 GPR119 (0.42) GPR119CYP2D6KCNJ1PTGS2CA12
SCHEMBL25364132 0.90 GPR119 (0.44) GPR119CYP2D6
SCHEMBL30541639 0.89 GPR119 (0.39) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL25366291 0.89 GPR119 (0.39) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL30541624 0.88 GPR119 (0.37) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL25366102 0.88 GPR119 (0.37) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL25366514 0.86 CYP2D6 (0.39) GPR119CYP2D6KCNJ1PTGS2USP2
SCHEMBL30541651 0.86 CYP2D6 (0.39) GPR119CYP2D6KCNJ1PTGS2USP2

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-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-22 — — US claimed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO claimed
US-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-22 — — US disclosed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — 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-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 GPR119 79/4885CYP2D6 4333/4885KCNJ1 3952/4885

“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.

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