SCHEMBL26438981

SCHEMBL26438981

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NR1D1 P20393 1/20 0.35
▸ ALOX5AP P20292 2/20 0.35
▸ CHI3L1 P36222 3/20 0.35
▸ CHIT1 Q13231 3/20 0.35
▸ CHIA Q9BZP6 3/20 0.35
▸ GAA P10253 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
SCHEMBL26707821 0.91 CYP3A4 (0.39) KCNH2NPSR1SMN1; SMN2NR1H2NR1H3
SCHEMBL26707772 0.90 CYP3A4 (0.36) KCNH2NPSR1HTTSMN1; SMN2NR1H2
SCHEMBL26707623 0.90 KMT2A (0.38) KCNH2NR1H2NR1H3KMT2AHCRTR1
SCHEMBL18609560 0.89 CHIT1 (0.43) KCNH2NPSR1HTTSMN1; SMN2NR1H2
SCHEMBL18589412 0.89 CHIT1 (0.43) KCNH2NPSR1HTTSMN1; SMN2NR1H2
SCHEMBL18607648 0.89 CHIT1 (0.43) KCNH2NPSR1HTTSMN1; SMN2NR1H2
SCHEMBL26707509 0.88 KCNH2 (0.37) KCNH2NPSR1HTTSMN1; SMN2NR1H2
SCHEMBL26438655 0.88 NR1H2 (0.37) KCNH2NPSR1HTTSMN1; SMN2NR1H2
SCHEMBL22903717 0.88 KCNH2 (0.37) KCNH2NPSR1HTTSMN1; SMN2NR1H2
SCHEMBL30612497 0.88 RORC (0.37) KCNH2NR1H2NR1H3

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 4 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
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors MOLECURE S.A. (PL) 2023-05-02 — — US disclosed
EP-3999500-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS OncoArendi Therapeutics S.A. (PL) 2022-05-25 — — EP disclosed
CN-114174280-A Substituted aminotriazoles useful as chitinase inhibitors 昂科艾伦迪治疗法公司 2022-03-11 — — CN 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-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA KCNH2 4518/4885NPSR1 3616/4885HTT 3024/4885
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors CHIT1, CHIA, CHI3L1 KCNH2 3849/4885NPSR1 1019/4885HTT 4643/4885

“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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