SCHEMBL26439359

SCHEMBL26439359

CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(C)(C)O)OC[C@@H]2Cc2ccc(Br)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 2/20 0.51
▸ CHIA Q9BZP6 2/20 0.51
▸ CHI3L1 P36222 1/20 0.51
▸ FPR2 P25090 7/20 0.44
▸ KCNH2 Q12809 5/20 0.42
▸ FPR3 P25089 3/20 0.41
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ STS P08842 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL18577414 0.91 CHIT1 (0.62) CHIT1CHIACHI3L1KCNH2
SCHEMBL18609561 0.91 CHIT1 (0.62) CHIT1CHIACHI3L1KCNH2
SCHEMBL18608044 0.91 CHIT1 (0.62) CHIT1CHIACHI3L1KCNH2
SCHEMBL18589341 0.91 CHIT1 (0.62) CHIT1CHIACHI3L1KCNH2
SCHEMBL26439568 0.89 KCNH2 (0.54) CHIT1CHIACHI3L1FPR2KCNH2
SCHEMBL22903610 0.86 FPR2 (0.43) CHIT1CHIACHI3L1FPR2KCNH2
SCHEMBL22903608 0.86 FPR2 (0.43) CHIT1CHIACHI3L1FPR2KCNH2
SCHEMBL22903696 0.83 KCNH2 (0.58) CHIT1CHIACHI3L1KCNH2
SCHEMBL26439042 0.83 KCNH2 (0.58) CHIT1CHIACHI3L1KCNH2
SCHEMBL26439349 0.82 NR1H2 (0.39) CHIT1CHIACHI3L1FPR2FPR3

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
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 (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-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors CHIT1, CHIA, CHI3L1 CHIT1 1/4885CHIA 2/4885CHI3L1 3/4885

“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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