SCHEMBL6806959

SCHEMBL6806959

O=C1CCN(c2ccc(S(=O)(=O)NCC3CC3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
GBA1 P04062 1/20 0.55
ALDH1A1 P00352 3/20 0.50
PKM P14618 1/20 0.50
PARG Q86W56 1/20 0.49
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
CNR2 P34972 4/20 0.44
CNR1 P21554 2/20 0.44
HPGD P15428 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 0.80 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1PKMHTR2C
SCHEMBL6800325 0.80 KEAP1 (0.58) NPC1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL6806953 0.78 ALDH1A1 (0.62) NPC1KMT2AMEN1GBA1ALDH1A1
SCHEMBL6797196 0.78 GAA (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6801365 0.78 ALDH1A1 (0.54) KMT2AGBA1ALDH1A1SMN1; SMN2HPGD
SCHEMBL6793103 0.77 HTR7 (0.53) KMT2AMEN1ALDH1A1HTR2CSMN1; SMN2
SCHEMBL17893595 0.76 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9833885 0.75 GBA1 (0.55) KMT2AMEN1GBA1ALDH1A1PKM
SCHEMBL9832352 0.75 CNR1 (0.55) NPC1KMT2AMEN1GBA1ALDH1A1
SCHEMBL9834675 0.75 GBA1 (0.78) NPC1KMT2AMEN1GBA1ALDH1A1

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 NPC1 999/4885KMT2A 1041/4885MEN1 2627/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 NPC1 1161/4885KMT2A 906/4885MEN1 2724/4885

“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.