SCHEMBL7570747

SCHEMBL7570747

NC(=O)c1cc(C(O)CNCCc2ccc(NC3CCN(C(=O)O)CC3)cc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.53
ADRB2 P07550 12/20 0.52
ADRB1 P08588 9/20 0.52
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
CYP2D6 P10635 2/20 0.48
ADRA2A P08913 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTR1A P08908 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL7091430 0.86 ADRB3 (0.73) ADRB3ADRB2ADRB1
SCHEMBL7569854 0.81 ADRB3 (0.76) ADRB3ADRB1
SCHEMBL7569860 0.81 ADRB3 (0.76) ADRB3ADRB1
SCHEMBL1966127 0.78 ADRB2 (0.70) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL27881453 0.78 ADRB2 (0.70) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL7091453 0.76 ADRB3 (0.68) ADRB3ADRB2ADRB1
SCHEMBL7091458 0.76 ADRB3 (0.68) ADRB3ADRB2ADRB1
SCHEMBL7097290 0.75 ADRB3 (0.67) ADRB3ADRB2ADRB1
SCHEMBL7091293 0.75 ADRB3 (0.67) ADRB3ADRB2ADRB1
SCHEMBL7092344 0.75 ADRB3 (0.67) ADRB3ADRB2ADRB1ADRA1DADRA1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885ADRB1 1/4885

“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.