SCHEMBL22535922

SCHEMBL22535922

COc1cc2c(CN)c3cc(OC)c(OC)cc3c(CN)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.43
▸ PDE3B Q13370 3/20 0.43
▸ PDE3A Q14432 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HTR2A P28223 3/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ NQO1 P15559 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37

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
SCHEMBL22823034 0.89 DPP4 (0.38) DPP4PDE3BPDE3AKDM4EATM
SCHEMBL22823351 0.86 DPP4 (0.40) DPP4PDE3BPDE3AKDM4EATM
SCHEMBL22535971 0.80 DPP4 (0.33) DPP4PDE3BPDE3AKDM4EATM
SCHEMBL28963207 0.77 PDE3B (0.58) PDE3BPDE3AKDM4ECYP3A4MAPT
SCHEMBL16740923 0.76 PDE3B (0.74) PDE3BPDE3A
Hydrochloric Acid SCHEMBL18128185 0.75 PDE3B (0.72) PDE3BPDE3A
SCHEMBL22535996 0.75 PDE3B (0.43) PDE3BPDE3AKDM4ECYP3A4MAPT
SCHEMBL22823350 0.74 DPP4 (0.30) DPP4
SCHEMBL1711296 0.74 CYP3A4 (0.53) PDE3BPDE3AKDM4ECYP3A4MAPT
SCHEMBL29368836 0.74 CYP3A4 (0.53) PDE3BPDE3AKDM4ECYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084813-A Macrocyclic compounds 诺和诺德牛津研究中心有限公司 2024-05-28 — — CN disclosed
CN-110691777-B Macrocyclic compounds 诺和诺德牛津研究中心有限公司 2024-03-01 — — CN disclosed
US-20230365514-A1 MACROCYCLIC COMPOUNDS NOVO NORDISK RESEARCH CENTRE OXFORD LIMITED (GB) 2023-11-16 — — US disclosed
US-20230365514-A1 MACROCYCLIC COMPOUNDS NOVO NORDISK RESEARCH CENTRE OXFORD LIMITED (GB) 2023-11-16 — — US disclosed
US-20230365514-A1 MACROCYCLIC COMPOUNDS NOVO NORDISK RESEARCH CENTRE OXFORD LIMITED (GB) 2023-11-16 — — US disclosed
US-20200399232-A1 MACROCYCLIC COMPOUNDS ZIYLO LTD (GB) 2020-12-24 — — US disclosed
US-10800747-B2 Macrocyclic compounds ZIYLO LTD (GB) 2020-10-13 — — 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-10800747-B2 Macrocyclic compounds SLC2A4, GALE, MPI DPP4 39/4885PDE3B 3237/4885PDE3A 3568/4885
US-20200399232-A1 MACROCYCLIC COMPOUNDS SLC2A4, GALE, MPI DPP4 39/4885PDE3B 3237/4885PDE3A 3568/4885
US-20230365514-A1 MACROCYCLIC COMPOUNDS SLC2A4, GALE, MPI DPP4 39/4885PDE3B 3237/4885PDE3A 3568/4885

“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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