SCHEMBL22228032

SCHEMBL22228032

O=C(NNC1CCC(N2CCC3(COC3)C2)CC1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
DPP4 P27487 2/20 0.42
KCNH2 Q12809 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
TSHR P16473 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
KDM4E B2RXH2 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
PREP P48147 2/20 0.38
FKBP1A P62942 1/20 0.38

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
SCHEMBL22228031 1.00 ALDH1A1 (0.43) ALDH1A1GAADPP4KCNH2DPP7
SCHEMBL22227818 0.92 ALDH1A1 (0.46) ALDH1A1GAADPP4KCNH2DPP7
SCHEMBL22227817 0.92 ALDH1A1 (0.46) ALDH1A1GAADPP4KCNH2DPP7
SCHEMBL22228026 0.88 ALDH1A1 (0.43) ALDH1A1GAADPP4KCNH2DPP7
SCHEMBL22227869 0.88 ALDH1A1 (0.43) ALDH1A1GAADPP4KCNH2DPP7
SCHEMBL16604769 0.85 ALDH1A1 (0.56) ALDH1A1GAADPP4KCNH2DPP7
SCHEMBL16615375 0.85 ALDH1A1 (0.56) ALDH1A1GAADPP4KCNH2DPP7
SCHEMBL30234010 0.83 ALDH1A1 (0.58) ALDH1A1GAADPP4KCNH2DPP7
SCHEMBL15873821 0.78 ALDH1A1 (0.60) ALDH1A1GAADPP4KCNH2DPP7
SCHEMBL15873777 0.78 ALDH1A1 (0.60) ALDH1A1GAADPP4KCNH2DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4745129-A2 COMPOUND HAVING CYCLIC STRUCTURE Daiichi Sankyo Company, Limited (JP) 2026-05-20 EP disclosed
EP-3682881-B1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO CO LTD (JP) 2026-04-01 EP disclosed
US-12297187-B2 Compound having cyclic structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-05-13 US disclosed
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-10-19 US disclosed
US-11512067-B2 Compound having cyclic structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-11-29 US disclosed
US-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 US disclosed
EP-3682881-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-07-22 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 (4 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-12297187-B2 Compound having cyclic structure H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B ALDH1A1 1019/4885GAA 2387/4885DPP4 3722/4885
US-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B ALDH1A1 1019/4885GAA 2387/4885DPP4 3722/4885
US-11512067-B2 Compound having cyclic structure H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B ALDH1A1 1019/4885GAA 2387/4885DPP4 3722/4885
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B ALDH1A1 1019/4885GAA 2387/4885DPP4 3722/4885

“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.