SCHEMBL7096591

SCHEMBL7096591

NCCc1ccc(NC2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.56
HRH3 Q9Y5N1 2/20 0.56
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
GPR183 P32249 3/20 0.48
AKR1C3 P42330 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
FPR2 P25090 1/20 0.45

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
SCHEMBL7092625 0.89 HRH4 (0.53) HRH4HRH3MEN1KMT2APOLB
SCHEMBL7095055 0.87 HRH4 (0.61) HRH4HRH3POLBAKR1C3
Formic Acid SCHEMBL7095420 0.84 HRH4 (0.57) HRH4HRH3POLBAKR1C3GRIN2D
Formic Acid SCHEMBL7574159 0.83 KMT2A (0.56) HRH4HRH3MEN1KMT2AAKR1C3
SCHEMBL7096062 0.79 ADRB3 (0.66)
SCHEMBL7243123 0.76 HRH4 (0.59) HRH4HRH3AKR1C3GRIN2DGRIN3B
SCHEMBL7092296 0.76 KMT2A (0.59) HRH4HRH3MEN1KMT2AAKR1C3
SCHEMBL7568622 0.75 HRH4 (0.60) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25531368 0.75 HRH4 (0.62) HRH4HRH3MEN1KMT2APOLB
SCHEMBL16598898 0.74 KMT2A (0.61) HRH4HRH3MEN1KMT2APOLB

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 HRH4 242/4885HRH3 429/4885MEN1 2931/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 HRH4 256/4885HRH3 477/4885MEN1 2107/4885

“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.