SCHEMBL6074498

SCHEMBL6074498

O=C1NC(=O)C(Cc2ccc(N3CCC4(CC3)OCCO4)cc2)S1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 8/20 0.46
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FFAR1 O14842 6/20 0.43
PPARA Q07869 2/20 0.43
MAOA P21397 2/20 0.42
CISD1 Q9NZ45 2/20 0.42
LGMN Q99538 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
SCHEMBL6074524 0.81 MAPT (0.57) MAPTHRH3ALDH1A1NPSR1PPARG
SCHEMBL6074494 0.77 ADAMTS5 (0.43) MAPTHRH3ALDH1A1LGMN
SCHEMBL9570559 0.76 MAPT (0.83) MAPTHRH3ALDH1A1NPSR1PPARG
SCHEMBL6074426 0.73 LGMN (0.50) MAPTHRH3ALDH1A1MEN1TSHR
SCHEMBL23387256 0.71 ITGB3 (0.56) ALDH1A1MEN1TSHRKMT2AHSD17B10
SCHEMBL290413 0.71 MAPT (0.75) MAPTHRH3ALDH1A1NPSR1PPARG
SCHEMBL6680323 0.70 LGMN (0.54) MAPTHRH3ALDH1A1MEN1TSHR
Glitazone SCHEMBL623021 0.70 MAPT (0.73) MAPTHRH3ALDH1A1NPSR1PPARG
SCHEMBL4852588 0.70 MAPT (0.73) MAPTHRH3ALDH1A1NPSR1PPARG
SCHEMBL6073828 0.70 LGMN (0.47) MAPTALDH1A1NPSR1MEN1HPGD

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 6 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
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
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 (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 MAPT 565/4885HRH3 136/4885ALDH1A1 1091/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAPT 565/4885HRH3 136/4885ALDH1A1 1091/4885

“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.