SCHEMBL25385111

SCHEMBL25385111

C[C@H]1CN(C2CCN(C#N)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 18/20 0.66
▸ CHIT1 Q13231 17/20 0.66
▸ CHI3L1 P36222 13/20 0.66
▸ KCNH2 Q12809 10/20 0.66
▸ CHI3L2 Q15782 3/20 0.62

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
SCHEMBL26222273 0.86 CHIA (0.71) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL29518389 0.85 CHIA (0.58) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26211314 0.83 CHIA (0.67) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26213970 0.82 CHIA (0.66) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL23143597 0.82 CHIA (0.58) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL23143598 0.82 CHIA (0.58) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26210421 0.81 CHIA (0.65) CHIACHIT1CHI3L1KCNH2CHI3L2
Hydrochloric Acid SCHEMBL23143245 0.81 CHIA (0.62) CHIACHIT1CHI3L1KCNH2CHI3L2
Hydrochloric Acid SCHEMBL23143292 0.81 CHIA (0.62) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL18609554 0.81 CHIA (0.64) CHIACHIT1CHI3L1KCNH2CHI3L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466845-B Method for preparing 5- (4- ((2S, 5S) -5- (4-chlorobenzyl) -2-methylmorpholino) piperidin-1-yl) -1H-1,2, 4-triazol-3-amine 昂科艾伦迪治疗法公司 2024-12-17 — — CN claimed
CN-114466845-A Process for the preparation of 5- (4- ((2S,5S) -5- (4-chlorobenzyl) -2-methylmorpholino) piperidin-1-yl) -1H-1,2, 4-triazol-3-amine 昂科艾伦迪治疗法公司 2022-05-10 — — CN claimed
US-12325701-B2 YKL-40 inhibitors and their therapeutic MOLECURE S.A. (PL) 2025-06-10 — — US disclosed
CN-114466845-B Method for preparing 5- (4- ((2S, 5S) -5- (4-chlorobenzyl) -2-methylmorpholino) piperidin-1-yl) -1H-1,2, 4-triazol-3-amine 昂科艾伦迪治疗法公司 2024-12-17 — — CN disclosed
CN-114466845-B Method for preparing 5- (4- ((2S, 5S) -5- (4-chlorobenzyl) -2-methylmorpholino) piperidin-1-yl) -1H-1,2, 4-triazol-3-amine 昂科艾伦迪治疗法公司 2024-12-17 — — CN disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 — — US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 — — US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 — — US disclosed
CN-114466845-A Process for the preparation of 5- (4- ((2S,5S) -5- (4-chlorobenzyl) -2-methylmorpholino) piperidin-1-yl) -1H-1,2, 4-triazol-3-amine 昂科艾伦迪治疗法公司 2022-05-10 — — CN disclosed
CN-114466845-A Process for the preparation of 5- (4- ((2S,5S) -5- (4-chlorobenzyl) -2-methylmorpholino) piperidin-1-yl) -1H-1,2, 4-triazol-3-amine 昂科艾伦迪治疗法公司 2022-05-10 — — CN 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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA CHIA 3/4885CHIT1 4/4885CHI3L1 1/4885
US-12325701-B2 YKL-40 inhibitors and their therapeutic CHI3L1, CHI3L2, CHIA CHIA 3/4885CHIT1 5/4885CHI3L1 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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