SCHEMBL6801385

SCHEMBL6801385

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
ATM Q13315 1/20 0.55
MAPT P10636 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 3/20 0.47
CYP2C9 P11712 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL6795432 0.81 ALDH1A1 (0.65) NPSR1MAPTALDH1A1CYP2C9PKM
SCHEMBL28522897 0.80 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL6802631 0.76 ALDH1A1 (0.62) NPSR1ATMMAPTKMT2AMEN1
SCHEMBL6803820 0.75 KMT2A (0.60) ATMKMT2AMEN1POLBSMN1; SMN2
SCHEMBL6800301 0.75 KMT2A (0.51) NPSR1ATMKMT2AMEN1ALDH1A1
SCHEMBL7797419 0.75 GSK3B (0.49) NPSR1ATMKMT2AMEN1ALDH1A1
SCHEMBL6802663 0.73 MAPT (0.67) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL11848012 0.73 LIPE (0.48) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL20271748 0.73 ALDH1A1 (0.56) NPSR1MAPTKMT2AMEN1ALDH1A1
SCHEMBL6701215 0.73 MAPT (0.58) MAPTKMT2AMEN1ALDH1A1SMN1; 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 NPSR1 154/4885ATM 4030/4885MAPT 4140/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 NPSR1 135/4885ATM 4109/4885MAPT 4309/4885

“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.