SCHEMBL6799112

SCHEMBL6799112

CCCCN(CC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ESR2 Q92731 1/20 0.39
CCR5 P51681 1/20 0.39
MAPT P10636 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL6799938 0.88 GAA (0.44) RORCGAAALDH1A1RAB9ACNR1
SCHEMBL6801688 0.84 GAA (0.62) RORCGAAALDH1A1CNR1CNR2
SCHEMBL6074924 0.80 ALDH1A1 (0.38) RORCGAAALDH1A1MAPT
SCHEMBL6800554 0.76 RORC (0.49) RORCALDH1A1
SCHEMBL6075175 0.75 MAPT (0.47) GAACNR1CNR2MAPT
SCHEMBL7559956 0.75 ADRB3 (0.66)
SCHEMBL6800562 0.75 ADRB3 (0.66)
SCHEMBL6800894 0.75 HTR2A (0.46) HTR2AHTR2CHTR7
SCHEMBL6800336 0.73 NR1D1 (0.44) RORCGAAALDH1A1RAB9ACNR1
SCHEMBL6800301 0.73 KMT2A (0.51) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743787-B2 FOR THERAPY OF METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN A MAMMAL WYETH 2004-06-01 US disclosed
US-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists WYETH 2003-02-06 US disclosed
US-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 US disclosed
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION 2002-03-07 US disclosed
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES AS 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-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 RORC 1073/4885GAA 2446/4885ALDH1A1 2253/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 RORC 1140/4885GAA 2167/4885ALDH1A1 1800/4885

“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.