SCHEMBL6074820

SCHEMBL6074820

CCOC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 11/20 0.49
TAS1R1 Q7RTX1 11/20 0.49
CTSK P43235 6/20 0.48
SMYD3 Q9H7B4 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPID Q08752 1/20 0.42

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
SCHEMBL27580966 1.00 TAS1R3 (0.49) TAS1R3TAS1R1CTSKSMYD3ALDH1A1
SCHEMBL6074806 0.91 TAS1R3 (0.57) TAS1R3TAS1R1CTSK
SCHEMBL6075180 0.89 SMYD3 (0.41) TAS1R3TAS1R1CTSKSMYD3ALDH1A1
SCHEMBL6074471 0.85 L3MBTL1 (0.50) ALDH1A1KMT2AHSD17B10
SCHEMBL6986486 0.84 TAS1R3 (0.49) TAS1R3TAS1R1CTSKSMYD3ALDH1A1
SCHEMBL6074325 0.84 LMNA (0.52) TAS1R3TAS1R1CTSKSMYD3ALDH1A1
SCHEMBL7135292 0.83 CTSK (0.47) TAS1R3TAS1R1CTSKSMYD3
SCHEMBL7136463 0.83 TAS1R3 (0.48) TAS1R3TAS1R1CTSKSMYD3ALDH1A1
SCHEMBL6799810 0.81 MEN1 (0.49) ALDH1A1MAPTKMT2A
SCHEMBL25496208 0.79 TAS1R3 (0.61) TAS1R3TAS1R1CTSKMAPTPPID

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-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 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 (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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 TAS1R3 135/4885TAS1R1 175/4885CTSK 4147/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 TAS1R3 135/4885TAS1R1 175/4885CTSK 4147/4885

“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.