SCHEMBL18589432

SCHEMBL18589432

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 16/20 0.58
▸ CHIT1 Q13231 16/20 0.58
▸ CHI3L1 P36222 10/20 0.58
▸ KCNH2 Q12809 8/20 0.58
▸ CHI3L2 Q15782 3/20 0.55
▸ LMNA P02545 1/20 0.47

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
SCHEMBL18577067 1.00 CHIA (0.58) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL23169723 1.00 CHIA (0.58) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL18609868 1.00 CHIA (0.58) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26439568 0.91 KCNH2 (0.54) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL18608044 0.90 CHIT1 (0.62) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL20747233 0.90 CHIT1 (0.59) CHIACHIT1CHI3L1KCNH2
SCHEMBL18607914 0.90 CHIT1 (0.57) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL18589341 0.90 CHIT1 (0.62) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL18577482 0.90 CHIT1 (0.57) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL18607913 0.90 CHIT1 (0.59) CHIACHIT1CHI3L1KCNH2

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-9944624-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2018-04-17 — — US disclosed
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2017-03-09 — — 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-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIA 1/4885CHIT1 2/4885CHI3L1 4/4885

“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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