SCHEMBL6803820

SCHEMBL6803820

CN1CCN(S(=O)(=O)c2ccc(N3CCC(=O)CC3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
ATM Q13315 1/20 0.58
LSS P48449 1/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 3/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.52
HSD11B1 P28845 1/20 0.51

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
SCHEMBL6802663 0.86 MAPT (0.67) KMT2AMEN1POLBSMN1; SMN2USP2
SCHEMBL6801727 0.84 MAPT (0.65) KMT2AMEN1POLBSMN1; SMN2USP2
SCHEMBL10395197 0.77 AKR1C3 (0.53) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL27885059 0.76 LSS (0.65) KMT2AMEN1ATMLSSPOLB
SCHEMBL12793305 0.76 POLB (0.71) KMT2AMEN1ATMPOLBSMN1; SMN2
SCHEMBL6801385 0.75 NPSR1 (0.56) KMT2AMEN1ATMPOLBSMN1; SMN2
SCHEMBL9386579 0.75 KMT2A (0.84) KMT2AMEN1ATMPOLBSMN1; SMN2
SCHEMBL8200020 0.75 KMT2A (0.84) KMT2AMEN1ATMPOLBSMN1; SMN2
SCHEMBL7564728 0.75 KMT2A (0.84) KMT2AMEN1ATMPOLBSMN1; SMN2
SCHEMBL11977000 0.74 ATM (0.70) KMT2AMEN1ATMPOLBSMN1; SMN2

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 KMT2A 1041/4885MEN1 2627/4885ATM 4030/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 KMT2A 906/4885MEN1 2724/4885ATM 4109/4885

“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.