SCHEMBL3956231

SCHEMBL3956231

Nc1cc(OC2CCNCC2)c2occc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ROCK1 Q13464 3/20 0.43
HRH1 P35367 3/20 0.42
IKBKB O14920 4/20 0.38
CHUK O15111 3/20 0.38
LCK P06239 1/20 0.38
PRKCZ Q05513 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ROCK2 O75116 1/20 0.36
PRKACA P17612 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKG1 Q13976 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36

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
SCHEMBL1062389 0.71 CHRNA7 (0.37)
SCHEMBL16234789 0.71 ALDH1A1 (0.46) PDE4ASLC6A3
SCHEMBL20064602 0.70 PDE4A (0.51) HTR6PDE4APDE4BPDE4CPDE4D
SCHEMBL15650817 0.68 PDE4B (0.48) PDE4APDE4BROCK1HRH1PRKCZ
SCHEMBL13963719 0.67 ACVR1B (0.47) PDE4BROCK1HRH1HTR1ASLC6A2
SCHEMBL3621040 0.67 NCF1 (0.40)
SCHEMBL2252843 0.66 HTR1A (0.51) ROCK1HRH1PRKCZHTR1ASLC6A2
SCHEMBL13973475 0.66 HRH1 (0.46) PDE4BROCK1HRH1IKBKBCHUK
SCHEMBL31122248 0.66 ROCK1 (0.62) ROCK1HRH1IKBKBPRKCZSLC6A2
Hydrochloric Acid SCHEMBL6047107 0.66 NCF1 (0.40) HTR6

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-7582767-B2 Substituted sulphonamide compound and uses thereof BIOVITRUM AB (PUBL.) (SE) 2009-09-01 US disclosed
EP-1896460-B1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS BIOVITRUM AB PUBL (SE) 2009-07-22 EP disclosed
EP-1896460-A1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed
US-20060293361-A1 N-[7-(4-piperidinyl)oxy-1-benzofuran-5-yl]-5-hydroxymethyl-2-methoxybenzenesulfonamide; the prophylaxis and treatment of medical conditions relating to obesity, type II diabetes, CNS disorders, to achieve reduction of body weight and/or body weight gain PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-28 US disclosed
WO-2006134150-A1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS BIOVITRUM AB (PUBL) (SE) 2006-12-21 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 (1 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-20060293361-A1 N-[7-(4-piperidinyl)oxy-1-benzofuran-5-yl]-5-hydroxymethyl-2-methoxybenzenesulfonamide; the prophylaxis and treatment of medical conditions relating to obesity, type II diabetes, CNS disorders, to achieve reduction of body weight and/or body weight gain GPR119, CNR2, SULT1E1 HTR6 598/4885PDE4A 2128/4885PDE4B 1617/4885

“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.