SCHEMBL7097003

SCHEMBL7097003

O=C(O)NCCc1ccc(NC2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLCG2 P16885 2/20 0.57
HRH4 Q9H3N8 7/20 0.56
APEX1 P27695 1/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 2/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
THRB P10828 1/20 0.42
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL7568622 0.90 HRH4 (0.60) PLCG2HRH4APEX1NPC1MAPT
SCHEMBL7243123 0.83 HRH4 (0.59) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7097005 0.81 ADRB3 (0.62) HRH4
SCHEMBL7092625 0.77 HRH4 (0.53) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7569649 0.76 ADRB3 (0.48) HRH4
SCHEMBL7092296 0.75 KMT2A (0.59) HRH4NPC1MAPTRAB9AKMT2A
SCHEMBL2304168 0.73 PLCG2 (1.00) PLCG2APEX1NPC1MAPTMAPK1
SCHEMBL604398 0.73 HRH4 (1.00) HRH4APEX1
SCHEMBL13174268 0.72 HRH4 (0.66) PLCG2HRH4APEX1NPC1MAPT
SCHEMBL7095055 0.71 HRH4 (0.61) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 PLCG2 3728/4885HRH4 242/4885APEX1 3717/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PLCG2 3990/4885HRH4 256/4885APEX1 3332/4885

“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.