Sugi Predict

Sugi Predict / Compounds / SCHEMBL23373209

SCHEMBL23373209

SCHEMBL23373209

C[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](CCc2ccc(Cl)cc2)CO1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 15/20 0.61
▸ CHIA Q9BZP6 15/20 0.61
▸ KCNH2 Q12809 14/20 0.61
▸ CHI3L1 P36222 7/20 0.52
▸ CHI3L2 Q15782 2/20 0.50

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
5-(4-((2S,5S)-5-(4-Chlorobenzyl)-2-Methylmorpholino)Piperidin-1-Yl)-1H-1,2,4-Triazol-3-Amine SCHEMBL23169429 0.91 CHIT1 (0.74) CHIT1CHIAKCNH2CHI3L1CHI3L2
5-(4-((2S,5S)-5-(4-Chlorobenzyl)-2-Methylmorpholino)Piperidin-1-Yl)-1H-1,2,4-Triazol-3-Amine SCHEMBL23143248 0.91 CHIT1 (0.74) CHIT1CHIAKCNH2CHI3L1CHI3L2
5-(4-((2S,5S)-5-(4-Chlorobenzyl)-2-Methylmorpholino)Piperidin-1-Yl)-1H-1,2,4-Triazol-3-Amine SCHEMBL29518271 0.90 CHIT1 (0.73) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26214351 0.83 CHIA (0.54) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26219024 0.82 CHIA (0.61) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26216800 0.79 CHIA (0.64) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26221839 0.78 CHIA (0.81) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26223461 0.77 CHIA (0.51) CHIT1CHIAKCNH2CHI3L1CHI3L2
5-(4-((2S,5S)-5-(4-Chlorobenzyl)-2-Methylmorpholino)Piperidin-1-Yl)-1H-1,2,4-Triazol-3-Amine SCHEMBL29455237 0.76 KCNH2 (1.00) CHIT1CHIAKCNH2
SCHEMBL26216518 0.76 CHIA (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746107-B2 Process for the production of 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methyl-morpholino)piperidin-1-yl)-1H-1,2,4-triazol-3-amine MOLECURE S.A. (PL) 2023-09-05 — — US disclosed
US-20210147401-A1 PROCESS FOR THE PRODUCTION OF 5-(4-((2S,5S)-5-(4-CHLOROBENZYL)-2-METHYL-MORPHOLINO)PIPERIDIN-1-YL)-1H-1,2,4-TRIAZOL-3-AMINE Oncoarendi Therapeutics S.A. (PL) 2021-05-20 — — 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-20210147401-A1 PROCESS FOR THE PRODUCTION OF 5-(4-((2S,5S)-5-(4-CHLOROBENZYL)-2-METHYL-MORPHOLINO)PIPERIDIN-1-YL)-1H-1,2,4-TRIAZOL-3-AMINE NT5C, HTR5A, NT5C3B CHIT1 1700/4885CHIA 3506/4885KCNH2 702/4885
US-11746107-B2 Process for the production of 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methyl-morpholino)piperidin-1-yl)-1H-1,2,4-triazol-3-amine NT5C, HTR5A, NT5C3B CHIT1 1700/4885CHIA 3506/4885KCNH2 702/4885

“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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