SCHEMBL6074924

SCHEMBL6074924

CCCCS(=O)(=O)N(CC(=O)OCc1ccccc1)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
RORC P51449 5/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.36
TMEM97 Q5BJF2 6/20 0.36
SIGMAR1 Q99720 6/20 0.36
PTPN1 P18031 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL6799112 0.80 RORC (0.45) ALDH1A1RORCMAPTGAA
SCHEMBL6075175 0.78 MAPT (0.47) MAPTGAA
SCHEMBL6074818 0.74 HCRTR2 (0.45) ALDH1A1MAPTPTPN1
Hydrochloric Acid SCHEMBL7362855 0.73 HSP90AA1 (0.42) ALDH1A1LMNASMN1; SMN2SIGMAR1PTPN1
SCHEMBL6074050 0.72 ADRB2 (0.53) RORC
SCHEMBL17879690 0.71 CA1 (0.44) ALDH1A1LMNA
SCHEMBL6074241 0.70 CA1 (0.44) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL6132579 0.68 MEN1 (0.59) LMNASMN1; SMN2MAPTTMEM97SIGMAR1
SCHEMBL6799938 0.68 GAA (0.44) ALDH1A1RORCLMNASMN1; SMN2MAPT
SCHEMBL6801688 0.67 GAA (0.62) ALDH1A1RORCLMNAMAPTGAA

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 1091/4885RORC 1506/4885LMNA 2593/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 1091/4885RORC 1506/4885LMNA 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.