SCHEMBL7091289

SCHEMBL7091289

CCCCCCNC(=O)Nc1ccc(CNC(=O)N2CCC(Nc3ccc(CCNC(=O)O)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.53
ADRB1 P08588 3/20 0.53
S1PR1 P21453 1/20 0.48
EPHX1 P07099 5/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
GHSR Q92847 2/20 0.46
PLA2G2A P14555 2/20 0.45
EPHX2 P34913 2/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
Formic Acid SCHEMBL7570814 0.89 GHSR (0.54) ADRB3ADRB1S1PR1EPHX1ALDH1A1
SCHEMBL7092327 0.88 S1PR1 (0.48) ADRB3ADRB1S1PR1EPHX1ALDH1A1
SCHEMBL7094653 0.84 ADRB3 (0.57) ADRB3ADRB1PLA2G2A
SCHEMBL7095318 0.83 ADRB3 (0.54) ADRB3ADRB1S1PR1ALDH1A1GHSR
SCHEMBL7090703 0.82 ADRB3 (0.51) ADRB3ADRB1MEN1KMT2A
SCHEMBL7091498 0.82 ADRB1 (0.62) ADRB3ADRB1ALDH1A1MEN1KMT2A
SCHEMBL7095565 0.81 ADRB3 (0.50) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL7091403 0.81 ADRB3 (0.51) ADRB3ADRB1EPHX2MEN1POLB
SCHEMBL7699673 0.80 ADRB3 (0.85) ADRB3ADRB1MEN1KMT2A
SCHEMBL7095234 0.80 ADRB3 (0.85) ADRB3ADRB1MEN1KMT2A

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 ADRB3 3/4885ADRB1 2/4885S1PR1 1192/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885S1PR1 1093/4885

“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.