SCHEMBL26707882

SCHEMBL26707882

CN(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](Cc2ccc(Cl)cc2)CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 5/20 0.37
▸ NR1D1 P20393 2/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ CHIA Q9BZP6 3/20 0.36
▸ ATM Q13315 1/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ CHI3L1 P36222 1/20 0.35
▸ VEGFA P15692 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL26706003 1.00 CHIT1 (0.37) CHIT1NR1D1KCNH2NR1H2NR1H3
SCHEMBL26211424 0.91 CHIT1 (0.36) CHIT1NR1D1KCNH2NR1H2NR1H3
SCHEMBL26438868 0.89 CHIT1 (0.39) CHIT1NR1D1NR1H2NR1H3CHIA
SCHEMBL22903559 0.89 CHIT1 (0.39) CHIT1NR1D1NR1H2NR1H3CHIA
SCHEMBL26707702 0.89 CHIT1 (0.45) CHIT1NR1D1KCNH2NR1H2NR1H3
SCHEMBL18577422 0.89 NR1H2 (0.39) CHIT1NR1D1NR1H2NR1H3CHIA
SCHEMBL18589427 0.89 NR1H2 (0.39) CHIT1NR1D1NR1H2NR1H3CHIA
SCHEMBL18607758 0.89 NR1H2 (0.39) CHIT1NR1D1NR1H2NR1H3CHIA
SCHEMBL18607649 0.89 NR1H2 (0.39) CHIT1NR1D1NR1H2NR1H3CHIA
SCHEMBL18607756 0.87 P2RX3 (0.41) CHIT1NR1D1NR1H2NR1H3CHIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4269400-B1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE SA (PL) 2025-07-09 — — EP disclosed
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 — — US disclosed
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 — — US 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-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA CHIT1 4/4885NR1D1 3765/4885KCNH2 4518/4885

“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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