SCHEMBL7096956

SCHEMBL7096956

CC(=O)N(c1ccc(CCNC(=O)O)cc1)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A4 P31645 5/20 0.41
TACR1 P25103 3/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 2/20 0.40
OPRD1 P41143 3/20 0.40
OPRM1 P35372 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F13A1 P00488 1/20 0.38
USP25 Q9UHP3 1/20 0.37
QPCT Q16769 1/20 0.37
KCNH2 Q12809 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
MC4R P32245 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7699509 0.82 NAMPT (0.41) SLC6A4TACR1SLC6A2SLC6A3OPRD1
SCHEMBL7095304 0.80 CHRM2 (0.69) CHRM2CHRM3OPRD1OPRM1MEN1
SCHEMBL6160138 0.77 SLC6A4 (0.54) CHRM2CHRM3SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL22797859 0.76 SLC6A2 (0.53) CHRM2CHRM3SLC6A4SLC6A2SLC6A3
SCHEMBL2995935 0.74 SLC6A4 (0.54) CHRM2CHRM3SLC6A4TACR1SLC6A2
SCHEMBL7096423 0.73 NPC1 (0.43) SPHK1MC4RMEN1KMT2A
SCHEMBL23805139 0.69 OPRD1 (0.61) CHRM2CHRM3SLC6A3OPRD1OPRM1
Phenethylcarbamic Acid SCHEMBL28146061 0.68 CA12 (0.53) KDM4EMC4RMEN1KMT2A
SCHEMBL14144500 0.68 SLC6A4 (0.53) SLC6A4TACR1SLC6A2SLC6A3OPRM1
SCHEMBL23805121 0.68 OPRM1 (0.45) CHRM3SLC6A4TACR1SLC6A2SLC6A3

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 CHRM2 137/4885CHRM3 161/4885SLC6A4 653/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CHRM2 128/4885CHRM3 158/4885SLC6A4 598/4885

“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.