SCHEMBL22902045

SCHEMBL22902045

CC1CN(C[C@H]2CN(C3CCN(c4nnc(N)[nH]4)CC3)[C@@H](CCc3ccc(Cl)cc3)CO2)C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 15/20 0.62
▸ CHIT1 Q13231 12/20 0.62
▸ CHIA Q9BZP6 7/20 0.48

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
SCHEMBL22901931 0.92 KCNH2 (0.73) KCNH2CHIT1CHIA
SCHEMBL22903764 0.92 KCNH2 (0.73) KCNH2CHIT1CHIA
SCHEMBL22901755 0.87 KCNH2 (0.61) KCNH2CHIT1CHIA
SCHEMBL22902044 0.85 KCNH2 (0.62) KCNH2CHIT1CHIA
Trifluoroacetic Acid SCHEMBL28708507 0.85 KCNH2 (0.64) KCNH2CHIT1CHIA
SCHEMBL22901995 0.84 KCNH2 (0.64) KCNH2CHIT1CHIA
SCHEMBL22901763 0.84 KCNH2 (0.73) KCNH2CHIT1CHIA
SCHEMBL22901736 0.83 KCNH2 (0.71) KCNH2CHIT1CHIA
SCHEMBL22903689 0.83 KCNH2 (0.71) KCNH2CHIT1CHIA
SCHEMBL22903694 0.83 KCNH2 (0.72) 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 2 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
US-20210015822-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS GALAPAGOS NV (BE) 2021-01-21 — — 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 (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-20210015822-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS CHIT1, CHIA, CHI3L1 KCNH2 3849/4885CHIT1 1/4885CHIA 2/4885
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors CHIT1, CHIA, CHI3L1 KCNH2 3849/4885CHIT1 1/4885CHIA 2/4885

“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.

Send feedback