SCHEMBL27205379

SCHEMBL27205379

COC(=O)c1cc(NCC2CCO2)c([N+](=O)[O-])c(OC2CCN(C)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.40
▸ HCAR3 P49019 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 11/20 0.38
▸ ALDH1A1 P00352 9/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL30087160 1.00 ALOX12 (0.40) ALOX12HCAR3KMT2AMAPTALDH1A1
SCHEMBL27176827 1.00 ALOX12 (0.40) ALOX12HCAR3KMT2AMAPTALDH1A1
SCHEMBL31160005 0.87 HCAR3 (0.41) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL27205176 0.85 SLC5A7 (0.36) ALOX12KMT2APOLBUTS2RSLC5A7
SCHEMBL27176854 0.85 SLC5A7 (0.36) ALOX12KMT2APOLBUTS2RSLC5A7
SCHEMBL29170113 0.85 MAPT (0.46) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL30087167 0.85 MAPT (0.46) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL30087168 0.85 MAPT (0.46) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL29170112 0.85 MAPT (0.46) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL31159788 0.82 HCAR3 (0.42) HCAR3KMT2AMAPTALDH1A1MEN1

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-20240343740-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS ELI LILLY AND COMPANY 2024-10-17 — — US disclosed
EP-4341255-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS Eli Lilly and Company (US) 2024-03-27 — — EP disclosed
CN-117355517-A Macrocyclic glucagon-like peptide 1 receptor agonists 伊莱利利公司 2024-01-05 — — 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 (1 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-20240343740-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS GLP1R, GCGR, GIPR ALOX12 4031/4885HCAR3 259/4885KMT2A 2068/4885

“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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