SCHEMBL26605741

SCHEMBL26605741

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 9/20 0.40
▸ CHIA Q9BZP6 6/20 0.40
▸ KCNH2 Q12809 5/20 0.38
▸ CHI3L1 P36222 4/20 0.36
▸ CHI3L2 Q15782 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HCRTR1 O43613 4/20 0.36
▸ HCRTR2 O43614 4/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25385125 0.87 CHIT1 (0.42) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26605744 0.85 CHIT1 (0.50) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26707882 0.85 CHIT1 (0.37) CHIT1CHIAKCNH2CHI3L1TSHR
SCHEMBL26706003 0.85 CHIT1 (0.37) CHIT1CHIAKCNH2CHI3L1TSHR
SCHEMBL18577375 0.85 CHIT1 (0.53) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL18577289 0.84 CHIT1 (0.42) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26605644 0.82 CHIT1 (0.41) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26605591 0.82 CHIT1 (0.45) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26605535 0.81 CHIT1 (0.46) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26605678 0.81 CHIT1 (0.54) CHIT1CHIAKCNH2CHI3L1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 — — US disclosed
EP-4269400-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS Molecure SA (PL) 2023-11-01 — — 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 (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 4/4885CHIA 3/4885KCNH2 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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