SCHEMBL7095345

SCHEMBL7095345

CCOC(=O)c1ccc(N2CCC(Nc3ccc(C(OC)OC)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
HSP90AA1 P07900 1/20 0.52
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.46
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPY2R P49146 1/20 0.43
PPM1B O75688 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL1542810 0.78 RAB9A (0.64) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL12919546 0.77 ALDH1A1 (0.55) ALDH1A1MAPTHSP90AA1MAPK1RAB9A
SCHEMBL28714338 0.77 HTT (0.50) ALDH1A1MAPTHSP90AA1TSHRMEN1
SCHEMBL378108 0.76 MEN1 (0.50) ALDH1A1MAPTHSP90AA1TSHRMEN1
Hydrochloric Acid SCHEMBL2514818 0.76 MEN1 (0.50) ALDH1A1HSP90AA1TSHRMEN1KMT2A
SCHEMBL382510 0.76 NOS2 (0.51) ALDH1A1MAPTHSP90AA1TSHRMEN1
SCHEMBL12042508 0.75 ALDH1A1 (0.52) ALDH1A1MAPTHSP90AA1TSHRMEN1
SCHEMBL6379753 0.75 NPY2R (0.52) ALDH1A1MAPTHSP90AA1TSHRMEN1
SCHEMBL12893938 0.74 ALDH1A1 (0.52) ALDH1A1MAPTHSP90AA1MAPK1RAB9A
SCHEMBL771186 0.74 MAPT (0.66) ALDH1A1MAPTTSHRMEN1KMT2A

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 ALDH1A1 725/4885MAPT 1539/4885HSP90AA1 3001/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 524/4885MAPT 1106/4885HSP90AA1 2728/4885

“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.