SCHEMBL7092097

SCHEMBL7092097

CCCCCCCCNC(=O)N1CCC(Nc2ccc(OCCNC(=O)O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.59
ADRB1 P08588 4/20 0.59
MAPT P10636 2/20 0.53
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NAMPT P43490 3/20 0.44
HPGD P15428 1/20 0.43
PLA2G2A P14555 2/20 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 SCHEMBL7096866 0.86 ADRB3 (0.60) ADRB3ADRB1MAPTHRH2HRH1
SCHEMBL7091439 0.81 ADRB3 (0.85) ADRB3ADRB1
SCHEMBL7569608 0.81 ADRB3 (0.54) ADRB3ADRB1MAPTALDH1A1NAMPT
SCHEMBL7091338 0.80 ADRB1 (0.62) ADRB3ADRB1MAPTALDH1A1
SCHEMBL7094653 0.80 ADRB3 (0.57) ADRB3ADRB1NAMPTPLA2G2A
SCHEMBL7095127 0.78 ADRB3 (0.62) ADRB3ADRB1NAMPTPLA2G2A
SCHEMBL7091289 0.76 ADRB3 (0.53) ADRB3ADRB1ALDH1A1PLA2G2A
SCHEMBL9809311 0.75 HRH2 (0.63) HRH2HRH1ALDH1A1HPGD
SCHEMBL7096041 0.75 LTA4H (0.61)
SCHEMBL7095288 0.75 ADRB3 (0.51) ADRB3ADRB1MAPTALDH1A1NAMPT

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 2/4885MAPT 1539/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885MAPT 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.