SCHEMBL7569608

SCHEMBL7569608

CCCCCCCCNC(=O)N1CCC(Nc2ccc(ON(CC)C(=O)O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.54
ADRB1 P08588 3/20 0.54
MAPT P10636 1/20 0.47
NAMPT P43490 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
MEN1 O00255 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
STS P08842 3/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7092097 0.81 ADRB3 (0.59) ADRB3ADRB1MAPTNAMPTALDH1A1
Formic Acid SCHEMBL7096866 0.78 ADRB3 (0.60) ADRB3ADRB1MAPTNAMPTSTS
SCHEMBL7095127 0.77 ADRB3 (0.62) ADRB3ADRB1NAMPTMAPK1
Formic Acid SCHEMBL7095796 0.74 ADRB3 (0.61) ADRB3ADRB1NAMPTHTTMAPK1
SCHEMBL7091709 0.73 ADRB3 (0.59) ADRB3ADRB1MAPTNAMPTHTT
SCHEMBL7094653 0.73 ADRB3 (0.57) ADRB3ADRB1NAMPTMAPK1
SCHEMBL7091439 0.72 ADRB3 (0.85) ADRB3ADRB1
SCHEMBL24176160 0.70 TDP1 (0.65) NAMPTMEN1CNR1CNR2KMT2A
SCHEMBL10739048 0.70 TDP1 (0.65) NAMPTMEN1CNR1CNR2KMT2A
SCHEMBL4285086 0.70 TDP1 (0.65) NAMPTMEN1CNR1CNR2KMT2A

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 3 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
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 (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 2/4885ADRB1 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.