SCHEMBL22412005

SCHEMBL22412005

COc1cc(F)c(COCC(C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ AAK1 Q2M2I8 3/20 0.38
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GSTP1 P09211 1/20 0.35
▸ GSTM2 P28161 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 1/20 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
SCHEMBL22412002 1.00 MTNR1A (0.38) MTNR1AMTNR1BAAK1HTTPOLB
SCHEMBL29711718 1.00 MTNR1A (0.38) MTNR1AMTNR1BAAK1HTTPOLB
SCHEMBL22411914 0.84 GSTP1 (0.35) AAK1GSTP1GSTM2ALDH1A1CYP3A4
SCHEMBL24496934 0.84 MTNR1A (0.41) MTNR1AMTNR1BAAK1TACR1
SCHEMBL29711743 0.84 MTNR1A (0.41) MTNR1AMTNR1BAAK1TACR1
SCHEMBL24496828 0.84 MTNR1A (0.41) MTNR1AMTNR1BAAK1TACR1
SCHEMBL29711866 0.84 MTNR1A (0.41) MTNR1AMTNR1BAAK1TACR1
SCHEMBL24496957 0.82 ALDH1A1 (0.48) HTTALDH1A1MAPTGAALMNA
SCHEMBL28951034 0.82 ALDH1A1 (0.48) HTTALDH1A1MAPTGAALMNA
SCHEMBL28951011 0.82 ALDH1A1 (0.48) HTTALDH1A1MAPTGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276977-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC (US) 2025-09-04 — — US disclosed
CN-114591351-B Polycyclic compound and preparation method and application thereof 成都科岭源医药技术有限公司 2023-12-05 — — CN disclosed
WO-2022117090-A1 POLYCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都科岭源医药技术有限公司 2022-06-09 — — WO disclosed
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — US disclosed
CN-114591351-A Polycyclic compound and preparation method and application thereof 成都科岭源医药技术有限公司 2022-06-07 — — CN disclosed
EP-3938369-A1 TYK2 INHIBITORS AND USES THEREOF Esker Therapeutics, Inc. (US) 2022-01-19 — — EP disclosed
CN-113811534-A TYK2 inhibitors and uses thereof 埃斯克疗法股份有限公司 2021-12-17 — — CN disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 — — 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-20250276977-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 MTNR1A 1126/4885MTNR1B 879/4885AAK1 92/4885
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 MTNR1A 1126/4885MTNR1B 879/4885AAK1 92/4885

“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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