SCHEMBL18589411

SCHEMBL18589411

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 0.65
▸ CHIT1 Q13231 15/20 0.51
▸ CHIA Q9BZP6 15/20 0.51
▸ CHI3L1 P36222 8/20 0.51
▸ CHI3L2 Q15782 2/20 0.46

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
SCHEMBL18607917 1.00 KCNH2 (0.65) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL18607916 1.00 KCNH2 (0.65) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL18607978 1.00 KCNH2 (0.65) KCNH2CHIT1CHIACHI3L1CHI3L2
Trifluoroacetic Acid SCHEMBL18577402 0.92 KCNH2 (0.57) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL18608043 0.87 CHIT1 (0.65) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL20629130 0.87 CHIT1 (0.65) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL22901850 0.87 KCNH2 (0.64) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL22901908 0.87 KCNH2 (0.64) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL18589361 0.87 CHIT1 (0.65) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL18608042 0.87 CHIT1 (0.65) KCNH2CHIT1CHIACHI3L1CHI3L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 — — EP disclosed
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 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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