SCHEMBL7091373

SCHEMBL7091373

CCCCCCCCNC(=O)N1CCC(S(=O)(=O)c2ccc(CCN)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.51
ADRB3 P13945 4/20 0.46
TPSAB1 Q15661 2/20 0.46
TPSD1 Q9BZJ3 2/20 0.46
TPSG1 Q9NRR2 2/20 0.46
ADRB1 P08588 1/20 0.46
NAMPT P43490 6/20 0.44
EPHX2 P34913 3/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL7569340 1.00 GHSR (0.51) GHSRADRB3TPSAB1TPSD1TPSG1
SCHEMBL7092239 0.90 CA2 (0.48) GHSRADRB3TPSAB1TPSD1TPSG1
SCHEMBL7235601 0.89 EPHX2 (0.47) ADRB3ADRB1NAMPTEPHX2MMP1
SCHEMBL7243806 0.89 EPHX2 (0.47) ADRB3ADRB1NAMPTEPHX2MMP1
SCHEMBL7095127 0.83 ADRB3 (0.62) GHSRADRB3TPSAB1TPSD1TPSG1
SCHEMBL7091444 0.81 CA1 (0.40) GHSRADRB3TPSAB1TPSD1TPSG1
SCHEMBL7097394 0.80 ADRB3 (0.52) ADRB3TPSAB1TPSD1TPSG1ADRB1
SCHEMBL7095644 0.80 TPSAB1 (0.47) GHSRADRB3TPSAB1TPSD1TPSG1
Formic Acid SCHEMBL7095796 0.80 ADRB3 (0.61) GHSRADRB3TPSAB1TPSD1TPSG1
SCHEMBL7094213 0.77 ADRB3 (0.77) ADRB3ADRB1

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 GHSR 95/4885ADRB3 3/4885TPSAB1 596/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GHSR 88/4885ADRB3 2/4885TPSAB1 518/4885

“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.