SCHEMBL6986486

SCHEMBL6986486

CCC(C)CC(NC(=O)c1ccc(N2CCC(=O)CC2)cc1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.49
TAS1R1 Q7RTX1 12/20 0.49
SMYD3 Q9H7B4 1/20 0.44
CTSK P43235 2/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR4A1 P22736 1/20 0.40
RAB9A P51151 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL6074806 0.91 TAS1R3 (0.57) TAS1R3TAS1R1CTSK
SCHEMBL6075180 0.85 SMYD3 (0.41) TAS1R3TAS1R1SMYD3CTSKMAPT
SCHEMBL6074820 0.84 TAS1R3 (0.49) TAS1R3TAS1R1SMYD3CTSKMAPT
SCHEMBL27580966 0.84 TAS1R3 (0.49) TAS1R3TAS1R1SMYD3CTSKMAPT
SCHEMBL6074173 0.82 KDM4E (0.39) CTSKMAPTALDH1A1KMT2AALOX15
SCHEMBL6074380 0.81 POLB (0.61) ALDH1A1KMT2AHSD17B10KDM4ERAB9A
SCHEMBL6074325 0.77 LMNA (0.52) TAS1R3TAS1R1SMYD3CTSKMAPT
SCHEMBL6074491 0.77 P2RY12 (0.43) SMYD3HSD17B10
SCHEMBL6074471 0.76 L3MBTL1 (0.50) ALDH1A1KMT2AHSD17B10L3MBTL1KDM4E
SCHEMBL27581717 0.75 SMYD3 (0.43) SMYD3CTSKMAPTALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP 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
WO-2002006232-A1 CYCLIC AMINE PHENYL 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-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 TAS1R3 135/4885TAS1R1 175/4885SMYD3 2198/4885

“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.