SCHEMBL6793103

SCHEMBL6793103

CCCCNS(=O)(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.53
ALDH1A1 P00352 5/20 0.49
HTR1A P08908 2/20 0.49
POLB P06746 3/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
MBTD1 Q05BQ5 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6802861 0.85 ALDH1A1 (0.51) HTR7ALDH1A1HTR1APOLBHTR2A
SCHEMBL6805421 0.83 CYP2C9 (0.62) ALDH1A1HTR2ALMNASMN1; SMN2HTT
SCHEMBL6801365 0.80 ALDH1A1 (0.54) HTR7ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL6795927 0.79 ALDH1A1 (0.75) HTR7ALDH1A1HTR1AHTR2AHTR2C
SCHEMBL17893595 0.78 SMN1; SMN2 (0.47) ALDH1A1POLBLMNASMN1; SMN2HTT
SCHEMBL6074446 0.78 LMNA (0.61) ALDH1A1POLBHTR2AHTR2CLMNA
SCHEMBL6074811 0.77 MAPT (0.42) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL6797196 0.77 GAA (0.54) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL6806959 0.77 NPC1 (0.57) ALDH1A1HTR2CSMN1; SMN2KMT2AMEN1
SCHEMBL6801622 0.76 ALDH1A1 (0.57) HTR7ALDH1A1HTR1APOLBHTR2A

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 HTR7 215/4885ALDH1A1 2253/4885HTR1A 204/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 HTR7 204/4885ALDH1A1 1800/4885HTR1A 177/4885

“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.