SCHEMBL22901906

SCHEMBL22901906

C[C@H]1CN(C2CCNCC2)[C@@H](Cc2ccc(Br)cc2)CO1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 0.61
▸ CHIA Q9BZP6 18/20 0.52
▸ CHIT1 Q13231 17/20 0.52
▸ CHI3L1 P36222 10/20 0.52
▸ CHI3L2 Q15782 3/20 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
SCHEMBL22903579 1.00 KCNH2 (0.61) KCNH2CHIACHIT1CHI3L1CHI3L2
Hydrochloric Acid SCHEMBL28703098 0.99 KCNH2 (0.60) KCNH2CHIACHIT1CHI3L1CHI3L2
SCHEMBL23169726 0.89 CHIA (0.64) KCNH2CHIACHIT1CHI3L1CHI3L2
SCHEMBL18589433 0.89 CHIA (0.64) KCNH2CHIACHIT1CHI3L1CHI3L2
SCHEMBL18609554 0.89 CHIA (0.64) KCNH2CHIACHIT1CHI3L1CHI3L2
SCHEMBL18608039 0.89 CHIA (0.64) KCNH2CHIACHIT1CHI3L1CHI3L2
Hydrochloric Acid SCHEMBL18577247 0.88 CHIA (0.63) KCNH2CHIACHIT1CHI3L1CHI3L2
Hydrochloric Acid SCHEMBL23143292 0.87 CHIA (0.62) KCNH2CHIACHIT1CHI3L1CHI3L2
Hydrochloric Acid SCHEMBL23143245 0.87 CHIA (0.62) KCNH2CHIACHIT1CHI3L1CHI3L2
SCHEMBL22901994 0.83 KCNH2 (0.45) 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 4 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-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
WO-2021009209-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS Oncoarendi Therapeutics S.A. (PL) 2021-01-21 — — WO 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 3849/4885CHIA 2/4885CHIT1 1/4885
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.

Send feedback