SCHEMBL18589408

SCHEMBL18589408

CC(C)(C)OC(=O)N1CCC(N2C[C@H](CO)OCC2Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 14/20 0.57
▸ CHIA Q9BZP6 13/20 0.57
▸ KCNH2 Q12809 11/20 0.57
▸ CHI3L1 P36222 8/20 0.57
▸ CHI3L2 Q15782 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ STS P08842 1/20 0.45

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
SCHEMBL18609869 1.00 CHIT1 (0.57) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL18607914 1.00 CHIT1 (0.57) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL18577482 1.00 CHIT1 (0.57) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL18589399 0.91 CHIT1 (0.60) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL18577086 0.91 CHIT1 (0.60) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26439036 0.91 KCNH2 (0.57) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL18610245 0.91 CHIT1 (0.60) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL18609556 0.91 CHIT1 (0.60) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL22903590 0.91 KCNH2 (0.57) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL23169723 0.90 CHIA (0.58) CHIT1CHIAKCNH2CHI3L1CHI3L2

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
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2019-02-19 — — US 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 (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-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885KCNH2 3882/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885KCNH2 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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