SCHEMBL6824271

SCHEMBL6824271

COCCOc1cc2ccc(-c3cccc([N+](=O)[O-])c3)cc2cc1C1=NCCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 4/20 0.44
▸ ADRA2B P18089 4/20 0.44
▸ ADRA2C P18825 4/20 0.44
▸ NISCH Q9Y2I1 3/20 0.40
▸ PLAU P00749 2/20 0.37
▸ PLG P00747 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ TOP1 P11387 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNB3 Q05901 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
Hydrochloric Acid SCHEMBL7727730 0.95 ADRA2A (0.43) ADRA2AADRA2BADRA2CNISCHPLAU
SCHEMBL6824908 0.86 NISCH (0.47) NISCHMAOAMAOB
Hydrochloric Acid SCHEMBL7727695 0.85 NISCH (0.46) NISCHMAOB
SCHEMBL6826727 0.84 NISCH (0.49) ADRA2AADRA2BADRA2CNISCHMAOA
Hydrochloric Acid SCHEMBL7736453 0.84 NISCH (0.49) ADRA2AADRA2BADRA2CNISCHMAOA
Hydrochloric Acid SCHEMBL7736309 0.83 NISCH (0.48) ADRA2AADRA2BADRA2CNISCHMAOA
Hydrochloric Acid SCHEMBL7727916 0.83 MAOA (0.43) NISCHMAOAMAOB
SCHEMBL4259468 0.82 NISCH (0.46) NISCHMAOAMAOB
SCHEMBL6823861 0.82 NISCH (0.55) NISCHMAOAMAOB
SCHEMBL7736167 0.82 TOP1 (0.39) PLAUPLGPLATTOP1PDE4D

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
US-20040009976-A1 Hypoglycemic imidazoline compounds TAKEUCHI KUMIKO (US) 2004-01-15 — — US claimed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 — — EP claimed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 — — EP claimed
WO-1999032482-A1 HYPOGLYCEMIC IMIDAZOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-07-01 — — WO claimed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 — — EP claimed
US-20040009976-A1 Hypoglycemic imidazoline compounds TAKEUCHI KUMIKO (US) 2004-01-15 — — US disclosed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 — — EP disclosed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 — — EP disclosed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 — — US disclosed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 — — EP 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-20040009976-A1 Hypoglycemic imidazoline compounds GPR119, IAPP, GLP1R ADRA2A 1004/4885ADRA2B 964/4885ADRA2C 475/4885

“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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