SCHEMBL7095288

SCHEMBL7095288

CCCCCCCCNC(=O)N1CCC(Oc2ccc(CCNC(=O)O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.51
ADRB1 P08588 1/20 0.51
EPHX2 P34913 6/20 0.47
CHRNA7 P36544 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
SLC5A7 Q9GZV3 1/20 0.45
NAMPT P43490 2/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44

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
SCHEMBL7097394 0.89 ADRB3 (0.52) ADRB3ADRB1EPHX2CHRNA7OPRM1
SCHEMBL7092216 0.88 ADRB3 (0.48) ADRB3ADRB1EPHX2CHRNA7MAPT
SCHEMBL7235028 0.82 ADRB3 (0.46) ADRB3ADRB1MEN1KMT2ANAMPT
SCHEMBL7095592 0.82 ADRB3 (0.46) ADRB3ADRB1MEN1KMT2ANAMPT
SCHEMBL7243806 0.81 EPHX2 (0.47) ADRB3ADRB1EPHX2NAMPT
SCHEMBL7235601 0.81 EPHX2 (0.47) ADRB3ADRB1EPHX2NAMPT
SCHEMBL7092551 0.80 EPHX2 (0.57) ADRB3ADRB1EPHX2CHRNA7MEN1
SCHEMBL7094178 0.80 ADRB3 (0.81) ADRB3ADRB1MAPTMEN1KMT2A
SCHEMBL7167873 0.80 ADRB3 (0.81) ADRB3ADRB1MAPTMEN1KMT2A
SCHEMBL7094275 0.79 ADRB3 (0.70) ADRB3ADRB1MAPTMEN1KMT2A

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 2/4885EPHX2 1109/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885EPHX2 1674/4885

“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.