SCHEMBL7092879

SCHEMBL7092879

COc1cccc(CNC(=O)N2CCC(Nc3ccc(CCNC(=O)O)cc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FAAH O00519 1/20 0.48
ADRB3 P13945 3/20 0.48
ADRB1 P08588 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL7092875 0.94 ALDH1A1 (0.56) ALDH1A1LMNAFAAHADRB3ADRB1
SCHEMBL7096580 0.90 PKM (0.53) PKMLMNAGLAFAAHADRB3
SCHEMBL7091154 0.86 ADRB3 (0.51) ALDH1A1CTDSP1TDP1FAAHADRB3
SCHEMBL7092308 0.86 ALDH1A1 (0.47) PKMALDH1A1LMNAGLAADRB3
Formic Acid SCHEMBL7095598 0.84 ALDH1A1 (0.51) ALDH1A1LMNAFAAHADRB3ADRB1
SCHEMBL7094171 0.83 ALDH1A1 (0.50) ALDH1A1LMNAFAAHADRB3ADRB1
SCHEMBL7094624 0.82 ADRB3 (0.48) PKMADRB3ADRB1MEN1KMT2A
SCHEMBL7095370 0.82 HRH3 (0.60) LMNACTDSP1TDP1FAAHADRB3
SCHEMBL7091838 0.81 ADRB3 (0.76) ADRB3ADRB1
SCHEMBL7701957 0.81 ADRB3 (0.76) 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 PKM 2765/4885ALDH1A1 725/4885LMNA 2367/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PKM 2930/4885ALDH1A1 524/4885LMNA 1884/4885

“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.