SCHEMBL7512949

SCHEMBL7512949

N#CC(c1ccc(N)cc1)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.58
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
EPHX1 P07099 3/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 2/20 0.33
NFE2L2 Q16236 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31

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
SCHEMBL7956279 0.81 SLC6A3 (0.58) SLC6A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL7828011 0.81 SLC6A3 (0.58) SLC6A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL961019 0.81 SLC6A3 (0.57) SLC6A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL27302896 0.81 SLC6A3 (0.54) SLC6A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL7236223 0.80 SLC6A3 (0.59) SLC6A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL13124077 0.79 SLC6A3 (0.58) SLC6A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL959762 0.79 SLC6A3 (0.58) SLC6A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL17892330 0.79 SLC6A3 (0.55) SLC6A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL4246228 0.77 CHRM2 (0.60) SLC6A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL961750 0.77 SLC6A3 (0.53) SLC6A3CHRM2CHRM1CHRM4CHRM3

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-6395762-B1 METABOLISM DISEASES; HYPOGLYCEMIC AGENTS; ANTICHOLESTEROL AGENTS; ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORPORATION 2002-05-28 US disclosed
US-20020025973-A1 Phenyl amino squarate and thiadiazole dioxide beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 US disclosed
WO-2002006210-A1 PHENYL AMINO SQUARATE AND THIADIAZOLE DIOXIDE 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-20020025973-A1 Phenyl amino squarate and thiadiazole dioxide beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 SLC6A3 207/4885CHRM2 1740/4885CHRM1 1285/4885

“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.