SCHEMBL6074864

SCHEMBL6074864

O=C1CCN(c2ccc(NS(=O)(=O)c3ccc(CC4SC(=O)NC4=O)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
HTR6 P50406 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 2/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6074524 0.86 MAPT (0.57) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL6988693 0.77 MAPT (0.52) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL6074690 0.76 ADRB3 (0.67)
SCHEMBL6982597 0.76 ALDH1A1 (0.53) ALDH1A1MAPTLMNATSHRHTR6
SCHEMBL28751618 0.75 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHTR6RECQL
SCHEMBL6074620 0.75 MAOB (0.58) ALDH1A1MAPTLMNATSHRL3MBTL1
SCHEMBL6074092 0.74 ALDH1A1 (0.54) ALDH1A1MAPTLMNATSHRRECQL
SCHEMBL6074446 0.73 LMNA (0.61) ALDH1A1MAPTLMNAHTR6RECQL
SCHEMBL6074068 0.73 CES1 (0.61) ALDH1A1MAPTLMNAHTR6RECQL
SCHEMBL10483600 0.73 MAPT (0.58) ALDH1A1MAPTTSHRKMT2AMEN1

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 ALDH1A1 1091/4885MAPT 565/4885LMNA 2593/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 1091/4885MAPT 565/4885LMNA 2593/4885

“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.