SCHEMBL18589433

SCHEMBL18589433

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 18/20 0.64
▸ CHIT1 Q13231 17/20 0.64
▸ KCNH2 Q12809 11/20 0.64
▸ CHI3L1 P36222 10/20 0.64
▸ CHI3L2 Q15782 3/20 0.61

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
SCHEMBL18608039 1.00 CHIA (0.64) CHIACHIT1KCNH2CHI3L1CHI3L2
SCHEMBL23169726 1.00 CHIA (0.64) CHIACHIT1KCNH2CHI3L1CHI3L2
SCHEMBL18609554 1.00 CHIA (0.64) CHIACHIT1KCNH2CHI3L1CHI3L2
Hydrochloric Acid SCHEMBL18577247 0.99 CHIA (0.63) CHIACHIT1KCNH2CHI3L1CHI3L2
Hydrochloric Acid SCHEMBL23143292 0.98 CHIA (0.62) CHIACHIT1KCNH2CHI3L1CHI3L2
Hydrochloric Acid SCHEMBL23143245 0.98 CHIA (0.62) CHIACHIT1KCNH2CHI3L1CHI3L2
SCHEMBL22903579 0.89 KCNH2 (0.61) CHIACHIT1KCNH2CHI3L1CHI3L2
SCHEMBL22901906 0.89 KCNH2 (0.61) CHIACHIT1KCNH2CHI3L1CHI3L2
Hydrochloric Acid SCHEMBL28703098 0.88 KCNH2 (0.60) CHIACHIT1KCNH2CHI3L1CHI3L2
SCHEMBL26223461 0.88 CHIA (0.51) CHIACHIT1KCNH2CHI3L1CHI3L2

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 2/4885KCNH2 3882/4885

“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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