SCHEMBL2380059

SCHEMBL2380059

O=C1NCCC2CCNCC12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
HTR3A P46098 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4804381 0.87 SLC6A2 (0.32) HTR3A
SCHEMBL20758368 0.87 CCR5 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4HTR3A
SCHEMBL397520 0.87 SLC6A2 (0.32) HTR3A
SCHEMBL29217207 0.87 SLC6A2 (0.32) HTR3A
SCHEMBL4852595 0.87 SLC6A2 (0.32) HTR3A
SCHEMBL4806245 0.87 SLC6A2 (0.32) HTR3A
SCHEMBL16042628 0.85
SCHEMBL16992087 0.77 L3MBTL1 (0.38) KDM4EALDH1A1
SCHEMBL1810152 0.76 MAPT (0.36) KDM4EALDH1A1
SCHEMBL9410053 0.76 MAPT (0.36) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2025-05-01 US disclosed
CN-115703765-B Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2025-02-28 CN disclosed
EP-4385988-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-06-19 EP disclosed
CN-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 CN disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-05-06 US disclosed
WO-2019035008-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2019-02-21 WO disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 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 (3 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 CHRNB2 4583/4885CHRNB4 4454/4885CHRNA3 4697/4885
US-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GABRA5, SLC6A11, GABRA1 CHRNB2 683/4885CHRNB4 542/4885CHRNA3 438/4885
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF CDK4, CDK6, CDK1 CHRNB2 4124/4885CHRNB4 3669/4885CHRNA3 3244/4885

“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.