SCHEMBL30228575

SCHEMBL30228575

COc1ccc2[nH]c3c(c2c1)CN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 5/20 0.74
▸ KDR P35968 3/20 0.65
▸ CFTR P13569 9/20 0.63
▸ USP2 O75604 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ LMNA P02545 1/20 0.57
▸ PABPC1 P11940 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ACHE P22303 1/20 0.53

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
SCHEMBL21162488 1.00 BAZ2B (0.74) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL31117446 0.92 BAZ2B (0.62) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL21588257 0.91 BAZ2B (0.61) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL21114768 0.91 BAZ2B (0.61) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL30506408 0.91 BAZ2B (0.61) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL21154472 0.90 BAZ2B (0.61) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL30228476 0.90 BAZ2B (0.61) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL21114766 0.89 LMNA (0.62) BAZ2BKDRCFTRALOX15HSD17B10
SCHEMBL2832897 0.87 LMNA (0.76) BAZ2BCFTRUSP2LMNAPABPC1
SCHEMBL30228387 0.87 TRPV1 (0.59) BAZ2BLMNAPABPC1ATMSMN1; SMN2

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-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC (KR) 2025-12-04 — — US disclosed
EP-4540245-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LigaChem Biosciences Inc. (KR) 2025-04-23 — — EP disclosed
CN-119654323-A External nucleotide pyrophosphatase-phosphodiesterase-1 inhibitor and pharmaceutical composition containing the same 瑞嘉化学生物科学股份有限公司 2025-03-18 — — CN disclosed
CN-109928971-B Aryl substituted aminotetrahydropyrans and uses thereof 广东东阳光药业股份有限公司 2024-01-16 — — CN disclosed
WO-2023242631-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES, INC. (KR) 2023-12-21 — — WO disclosed
CN-109988106-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-03-31 — — CN 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-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP1, ENPP3, SMPD1 BAZ2B 3013/4885KDR 2912/4885CFTR 406/4885

“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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