SCHEMBL7091818

SCHEMBL7091818

CCN(CC)C(=O)N1CCC(Nc2ccc(CCNC(=O)O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.59
ADRB1 P08588 5/20 0.59
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.44
RORC P51449 2/20 0.43
MLNR O43193 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL7091774 0.86 ADRB1 (0.58) ADRB3ADRB1NPSR1TSHRMAPT
SCHEMBL7095565 0.84 ADRB3 (0.50) ADRB3ADRB1MAPTMLNR
SCHEMBL7091403 0.83 ADRB3 (0.51) ADRB3ADRB1MAPT
SCHEMBL7092203 0.83 ADRB3 (0.57) ADRB3ADRB1MAPTMLNR
Formic Acid SCHEMBL7096335 0.82 ADRB3 (0.57) ADRB3ADRB1NPSR1TSHRMAPT
SCHEMBL7094504 0.82 ADRB3 (0.60) ADRB3ADRB1RORC
SCHEMBL7094544 0.81 ADRB3 (0.49) ADRB3ADRB1MAPTMLNR
SCHEMBL7092224 0.81 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL7091607 0.79 SIGLEC9 (0.58) TSHRMAPTHTT
SCHEMBL7095375 0.79 KMT2A (0.58) ADRB3ADRB1TSHRMLNR

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 2/4885NPSR1 209/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885NPSR1 206/4885

“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.