SCHEMBL20747189

SCHEMBL20747189

Nc1nnc(N2CCC(N3CC(C(O)O)CC[C@@H]3Cc3ccc(Cl)cc3)CC2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 10/20 0.53
▸ CHIT1 Q13231 18/20 0.52
▸ CHIA Q9BZP6 10/20 0.49

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
SCHEMBL22901751 0.87 KCNH2 (0.68) KCNH2CHIT1CHIA
SCHEMBL22903714 0.87 KCNH2 (0.68) KCNH2CHIT1CHIA
SCHEMBL18577126 0.85 CHIT1 (0.71) KCNH2CHIT1CHIA
SCHEMBL18577260 0.85 CHIT1 (0.71) KCNH2CHIT1CHIA
SCHEMBL18609992 0.85 CHIT1 (0.57) KCNH2CHIT1CHIA
SCHEMBL20628957 0.85 CHIT1 (0.57) KCNH2CHIT1CHIA
SCHEMBL18607729 0.83 CHIT1 (0.68) KCNH2CHIT1CHIA
SCHEMBL18609888 0.83 CHIT1 (0.68) KCNH2CHIT1CHIA
SCHEMBL21565738 0.83 CHIT1 (0.68) KCNH2CHIT1CHIA
SCHEMBL18577068 0.83 CHIT1 (0.68) KCNH2CHIT1CHIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2019-02-19 — — 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-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC KCNH2 3882/4885CHIT1 2/4885CHIA 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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