SCHEMBL26439568

SCHEMBL26439568

C[C@H]1CN(C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](Cc2ccc(Br)cc2)CO1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.54
▸ CHIA Q9BZP6 14/20 0.48
▸ CHIT1 Q13231 13/20 0.48
▸ CHI3L1 P36222 10/20 0.48
▸ CHI3L2 Q15782 3/20 0.46
▸ FPR2 P25090 3/20 0.45
▸ TP53 P04637 1/20 0.41

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
SCHEMBL18609868 0.91 CHIA (0.58) KCNH2CHIACHIT1CHI3L1CHI3L2
SCHEMBL23169723 0.91 CHIA (0.58) KCNH2CHIACHIT1CHI3L1CHI3L2
SCHEMBL18577067 0.91 CHIA (0.58) KCNH2CHIACHIT1CHI3L1CHI3L2
SCHEMBL18589432 0.91 CHIA (0.58) KCNH2CHIACHIT1CHI3L1CHI3L2
SCHEMBL26439359 0.89 CHIT1 (0.51) KCNH2CHIACHIT1CHI3L1FPR2
SCHEMBL22903608 0.88 FPR2 (0.43) KCNH2CHIACHIT1CHI3L1CHI3L2
SCHEMBL22903610 0.88 FPR2 (0.43) KCNH2CHIACHIT1CHI3L1CHI3L2
SCHEMBL20747233 0.81 CHIT1 (0.59) KCNH2CHIACHIT1CHI3L1
SCHEMBL18607913 0.81 CHIT1 (0.59) KCNH2CHIACHIT1CHI3L1
SCHEMBL18608044 0.81 CHIT1 (0.62) KCNH2CHIACHIT1CHI3L1CHI3L2

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 KCNH2 3849/4885CHIA 2/4885CHIT1 1/4885

“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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