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Sugi Predict / Compounds / SCHEMBL21590800

SCHEMBL21590800

SCHEMBL21590800

CC(C)(C)OC(=O)N1CC2(C[C@H](O)CO2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ NR1H2 P55055 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.34
▸ GPR119 Q8TDV5 2/20 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
SCHEMBL15777271 1.00 USP2 (0.41) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL21590661 1.00 USP2 (0.41) USP2SMN1; SMN2CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL30419355 0.92 USP2 (0.36) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL15776899 0.89 USP2 (0.41) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL30922555 0.86 HPGD (0.40) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL20411385 0.85 USP2 (0.46) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL20411386 0.85 USP2 (0.46) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL897951 0.85 USP2 (0.46) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL19852387 0.85 USP2 (0.41) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL23410584 0.84 USP2 (0.41) USP2SMN1; SMN2CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441735-B2 Nitrogen-containing heterocyclic compound having NRF2 activation effect CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-10-14 — — US disclosed
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-05-29 — — US disclosed
EP-4558481-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF Biogen MA Inc. (US) 2025-05-28 — — EP disclosed
CN-119855809-A Emopanamide binding protein inhibitors and uses thereof 渤健马萨诸塞州股份有限公司 2025-04-18 — — CN disclosed
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-03-13 — — US disclosed
EP-4446312-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-10-16 — — EP disclosed
CN-118488944-A Nitrogen-containing heterocyclic compound having Nrf2 activation 中外制药株式会社 2024-08-13 — — CN disclosed
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 — — EP disclosed
WO-2024020156-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-25 — — WO disclosed
WO-2024020156-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-25 — — WO disclosed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 — — US disclosed
WO-2023132369-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT 中外製薬株式会社 2023-07-13 — — WO disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 — — US disclosed
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 — — EP disclosed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 — — CN disclosed
WO-2021228795-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-11-18 — — WO disclosed
EP-3807269-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2021-04-21 — — EP disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 — — US disclosed
WO-2019238633-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 — — 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 (6 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 USP2 3807/4885SMN1; SMN2 3404/4885CHRM2 280/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 USP2 3012/4885SMN1; SMN2 2455/4885CHRM2 272/4885
US-12441735-B2 Nitrogen-containing heterocyclic compound having NRF2 activation effect KEAP1, NFE2L2, BACH1 USP2 2305/4885SMN1; SMN2 1337/4885CHRM2 967/4885
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRA3, GABRB3 USP2 3724/4885SMN1; SMN2 2373/4885CHRM2 334/4885
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 USP2 2305/4885SMN1; SMN2 1337/4885CHRM2 967/4885
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 USP2 2302/4885SMN1; SMN2 1349/4885CHRM2 923/4885

“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.