SCHEMBL7094604

SCHEMBL7094604

Cn1cnc(S(=O)(=O)N2CCC(Nc3ccc(CCNC(=O)O)cc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
TP53 P04637 3/20 0.54
MAPT P10636 1/20 0.47
SLC6A9 P48067 1/20 0.46
LMNA P02545 1/20 0.46
SMYD3 Q9H7B4 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
SCHEMBL7095290 0.82 KMT2A (0.64) POLBTP53MAPTLMNA
SCHEMBL7096563 0.78 ADRB1 (0.64)
SCHEMBL7589771 0.78 ADRB1 (0.64)
SCHEMBL7095493 0.78 ADRB1 (0.64)
SCHEMBL7092876 0.78 KMT2A (0.66) POLBMAPTLMNASMYD3
SCHEMBL7092648 0.75 MEN1 (0.55) POLBLMNA
SCHEMBL7094382 0.74 ADRB3 (0.49)
SCHEMBL7095318 0.73 ADRB3 (0.54)
SCHEMBL7092203 0.72 ADRB3 (0.57) POLBMAPT
SCHEMBL7091818 0.72 ADRB3 (0.59) MAPT

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 POLB 2061/4885TP53 4790/4885MAPT 1539/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 POLB 2195/4885TP53 4644/4885MAPT 1106/4885

“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.