SCHEMBL7096041

SCHEMBL7096041

O=C(O)NCCOc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.61
POLB P06746 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ADIPOR2 Q86V24 1/20 0.52
ADIPOR1 Q96A54 1/20 0.52
PRKAA2 P54646 1/20 0.52
MC4R P32245 1/20 0.51
MAOB P27338 4/20 0.50
CHRM4 P08173 1/20 0.50
FAAH O00519 1/20 0.50
CXCR3 P49682 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
SLC6A5 Q9Y345 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL7095635 0.84 LTA4H (0.59) LTA4HPOLBKMT2AMC4R
SCHEMBL3040888 0.82 LTA4H (0.76) LTA4HPOLBADIPOR2ADIPOR1FAAH
SCHEMBL23805141 0.80 KMT2A (0.66) LTA4HPOLBKMT2AFAAHBCHE
SCHEMBL7092777 0.78 MEN1 (0.44) MEN1KMT2AUSP2
SCHEMBL7289534 0.78 KMT2A (0.70) LTA4HMEN1KMT2AFAAHACHE
SCHEMBL4229314 0.78 LTA4H (0.80) LTA4HMEN1KMT2APRKAA2
SCHEMBL918426 0.77 KDM4E (0.66) LTA4HMEN1KMT2ABCHEACHE
SCHEMBL8070227 0.76 ALDH1A1 (0.68) LTA4HMEN1KMT2ACHRM4
SCHEMBL2187157 0.76 BCHE (0.62) LTA4HPOLBMEN1KMT2AMAOB
SCHEMBL7288248 0.76 ACHE (0.68) LTA4HPOLBFAAHBCHEACHE

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 LTA4H 2156/4885POLB 2061/4885MEN1 2931/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LTA4H 2327/4885POLB 2195/4885MEN1 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.