Sugi Predict

Sugi Predict / Compounds / SCHEMBL24033337

SCHEMBL24033337

SCHEMBL24033337

CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC2CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PDE4B Q07343 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RECQL P46063 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
SCHEMBL30181860 1.00 EPHX1 (0.43) EPHX1NR1H2CHRM2CHRM1CHRM3
SCHEMBL762294 0.83 NR1H2 (0.46) EPHX1NR1H2CHRM2CHRM1CHRM3
SCHEMBL14303516 0.83 NR1H2 (0.46) EPHX1NR1H2CHRM2CHRM1CHRM3
SCHEMBL19881453 0.83 NR1H2 (0.46) EPHX1NR1H2CHRM2CHRM1CHRM3
SCHEMBL3567347 0.83 NR1H2 (0.46) EPHX1NR1H2CHRM2CHRM1CHRM3
SCHEMBL13282934 0.83 NR1H2 (0.46) EPHX1NR1H2CHRM2CHRM1CHRM3
SCHEMBL391518 0.83 NR1H2 (0.46) EPHX1NR1H2CHRM2CHRM1CHRM3
SCHEMBL19701814 0.82 EPHX1 (0.49) EPHX1NR1H2CHRM2CHRM1CHRM3
SCHEMBL16945092 0.82 EPHX1 (0.58) EPHX1HPGDALDH1A1PDE4BMAPT
SCHEMBL2190497 0.82 EPHX1 (0.45) EPHX1NR1H2CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806346-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2023-11-07 — — US disclosed
US-11806346-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2023-11-07 — — US disclosed
CN-116997548-A HTT modulators for the treatment of huntington's disease CHDI基金会股份有限公司 2023-11-03 — — CN disclosed
US-20220409615-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE CHDI FOUNDATION, INC. 2022-12-29 — — US disclosed
WO-2021231571-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE CHDI FOUNDATION, INC. (US) 2021-11-18 — — 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-20220409615-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 EPHX1 4091/4885NR1H2 1722/4885CHRM2 4325/4885
US-11806346-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 EPHX1 4091/4885NR1H2 1722/4885CHRM2 4325/4885

“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.