SCHEMBL7094544

SCHEMBL7094544

CCCCCC(=O)N1CCC(Nc2ccc(CCNC(=O)O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.49
ADRB1 P08588 1/20 0.49
MLNR O43193 2/20 0.48
GNAI3 P08754 6/20 0.46
GNAO1 P09471 6/20 0.46
GNAI1 P63096 6/20 0.46
CNR2 P34972 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 1/20 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 SCHEMBL7092003 0.83 GNAI3 (0.48) ADRB3ADRB1MLNRGNAI3GNAO1
SCHEMBL7095565 0.82 ADRB3 (0.50) ADRB3ADRB1MLNRMEN1KMT2A
SCHEMBL7094653 0.82 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL7091403 0.81 ADRB3 (0.51) ADRB3ADRB1MEN1KMT2AMAPT
SCHEMBL7092648 0.81 MEN1 (0.55) ADRB3ADRB1MEN1KMT2AEPHX2
SCHEMBL7092203 0.81 ADRB3 (0.57) ADRB3ADRB1MLNRMAPT
SCHEMBL7092327 0.81 S1PR1 (0.48) ADRB3ADRB1MEN1KMT2AEPHX2
SCHEMBL7091818 0.81 ADRB3 (0.59) ADRB3ADRB1MLNRMAPT
SCHEMBL7091289 0.80 ADRB3 (0.53) ADRB3ADRB1MEN1KMT2AEPHX2
SCHEMBL7092224 0.79 ADRB3 (0.51) ADRB3ADRB1MEN1KMT2A

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 2/4885MLNR 306/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885MLNR 293/4885

“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.