SCHEMBL7123752

SCHEMBL7123752

Nc1ccc(CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2N)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 1/20 0.40
ABCB1 P08183 14/20 0.39
ADRB3 P13945 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL7123774 0.86 ABCB1 (0.42) ABCB1ADRB3TSHR
SCHEMBL7952028 0.79 L3MBTL1 (0.46) L3MBTL1KMT2AABCB1TSHR
SCHEMBL7952030 0.79 L3MBTL1 (0.46) L3MBTL1KMT2AABCB1TSHR
SCHEMBL7114181 0.78 ADRB3 (0.54) KMT2AADRB3
SCHEMBL7012719 0.78 ALDH1A1 (0.49) ABCB1ADRB3
SCHEMBL7012718 0.78 ALDH1A1 (0.49) ABCB1ADRB3
SCHEMBL7119532 0.76 ADRB3 (0.51) KMT2AABCB1ADRB3
SCHEMBL7122493 0.76 MAPT (0.54) L3MBTL1KMT2AABCB1ADRB3
SCHEMBL7114481 0.76 ADRB2 (0.48) KMT2AABCB1ADRB3
SCHEMBL7123779 0.75 ABCB1 (0.46) ABCB1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569873-B2 Treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination WYETH 2003-05-27 US disclosed
US-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists WYETH 2003-03-20 US disclosed
US-6465501-B2 USEFUL IN TREATING OR INHIBITING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA, ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, GLAUCOMA, OCULAR HYPERTENSION AND INCONTINENCE WYETH 2002-10-15 US disclosed
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-14 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 (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-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 L3MBTL1 4173/4885KMT2A 2903/4885ABCB1 431/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 L3MBTL1 4173/4885KMT2A 2903/4885ABCB1 431/4885

“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.