SCHEMBL6074241

SCHEMBL6074241

O=C1CCN(c2ccc(NS(=O)(=O)CC(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 6/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NR4A1 P22736 1/20 0.40
AR P10275 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6132579 0.74 MEN1 (0.59) CA1CA2CA7CA9MAPT
SCHEMBL6074418 0.74 CYP1A2 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL28751617 0.71 GFER (0.42) CA1CA9MAPTALDH1A1KDM4E
SCHEMBL6799112 0.71 RORC (0.45) MAPTALDH1A1RAB9AGAA
SCHEMBL6074924 0.70 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL6074992 0.70 ACE (0.45) MAPTALDH1A1KDM4E
SCHEMBL27580906 0.70 ACE (0.45) MAPTALDH1A1KDM4E
SCHEMBL6074926 0.70 RAB9A (0.61) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL735870 0.69 MAPT (0.52) MAPTALDH1A1KDM4ENR4A1SMN1; SMN2
SCHEMBL6220058 0.69 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1

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 8 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
WO-2003040321-A2 ANTISENSE MODULATION OF EIF2C1 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2003-05-15 WO 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
WO-2003011888-A1 ANTISENSE MODULATION OF SAP-1 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2003-02-13 WO 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 CA1 4846/4885CA2 3350/4885CA7 3959/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CA1 4846/4885CA2 3350/4885CA7 3959/4885

“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.