SCHEMBL7091577

SCHEMBL7091577

CCCCCCNC(=O)N(OC=O)c1ccc(S(=O)(=O)N2CCC(Nc3ccc(CCN)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.45
ADRB3 P13945 9/20 0.42
ADRB1 P08588 4/20 0.42
ADRB2 P07550 2/20 0.42
CCR6 P51684 2/20 0.39
TGM2 P21980 3/20 0.39
TGM6 O95932 1/20 0.39
F13A1 P00488 1/20 0.39
TGM1 P22735 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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 SCHEMBL7091575 0.84 GHSR (0.62) GHSRADRB3ADRB1ADRB2
Formic Acid SCHEMBL7095402 0.80 GHSR (0.41) GHSRADRB3ADRB1ADRB2CCR6
SCHEMBL7095318 0.74 ADRB3 (0.54) GHSRADRB3ADRB1ADRB2ALDH1A1
SCHEMBL7091415 0.74 KMT2A (0.59) ALDH1A1MEN1KMT2A
SCHEMBL7094586 0.73 CA12 (0.64) CCR6ALDH1A1MEN1KMT2A
Formic Acid SCHEMBL7095796 0.73 ADRB3 (0.61) GHSRADRB3ADRB1
SCHEMBL7095127 0.73 ADRB3 (0.62) GHSRADRB3ADRB1
SCHEMBL7093947 0.72 ADRB3 (0.56) GHSRADRB3ADRB1ADRB2CCR6
SCHEMBL7095496 0.70 EPHX2 (0.47) GHSRALDH1A1MEN1KMT2A
SCHEMBL7569465 0.70 CCR6 (0.43) ADRB3ADRB1ADRB2CCR6ALDH1A1

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 4 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

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 3/4885ADRB1 2/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GHSR 88/4885ADRB3 2/4885ADRB1 1/4885

“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.