SCHEMBL7568622

SCHEMBL7568622

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.60
PLCG2 P16885 2/20 0.48
APEX1 P27695 1/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 2/20 0.46
THRB P10828 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44

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
SCHEMBL7097003 0.90 PLCG2 (0.57) HRH4PLCG2APEX1NPC1MAPT
SCHEMBL7095055 0.81 HRH4 (0.61) HRH4
SCHEMBL7097005 0.81 ADRB3 (0.62) HRH4
Formic Acid SCHEMBL7095420 0.78 HRH4 (0.57) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL604398 0.76 HRH4 (1.00) HRH4APEX1
SCHEMBL7096591 0.75 HRH4 (0.56) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7569649 0.75 ADRB3 (0.48) HRH4
SCHEMBL13174268 0.74 HRH4 (0.66) HRH4PLCG2APEX1NPC1MAPT
SCHEMBL7243123 0.71 HRH4 (0.59) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6141640 0.71 HRH4 (0.73) HRH4PLCG2APEX1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 HRH4 256/4885PLCG2 3990/4885APEX1 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.