SCHEMBL6160345

SCHEMBL6160345

CC(C)N1CCC(N2[N]C(=O)C(c3ccc(Cl)cc3)=C2c2ccncc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.37
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
LSS P48449 1/20 0.34
MCHR1 Q99705 1/20 0.34
CYP2D6 P10635 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MAPK11 Q15759 3/20 0.33
MAPK14 Q16539 3/20 0.33
AKT1 P31749 2/20 0.33
CHRNA7 P36544 1/20 0.33
GHSR Q92847 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL6159161 0.82 KCNH2 (0.38) LSSMAPK11MAPK14AKT1MAPK13
SCHEMBL6162408 0.80 HTR6 (0.38) LSSCYP2D6HRH3MAPK11MAPK14
SCHEMBL6160893 0.76 HTR6 (0.37) LSSMAPK11MAPK14AKT1MAPK13
SCHEMBL6163249 0.72 GCGR (0.40) LSSMAPK11MAPK14AKT1MAPK13
SCHEMBL5219347 0.71 MAPK11 (0.39) TLR9TLR8TLR7MCHR1MAPK11
SCHEMBL6164467 0.66 RIPK3 (0.40) LSSMAPK11MAPK14
SCHEMBL1921902 0.65 BTK (0.46) NR3C1
SCHEMBL6158928 0.64 ALKBH3 (0.37) MAPK11MAPK14AKT1MAPK13MAPK12
SCHEMBL5454948 0.62 MAPK11 (0.53) TLR8TLR7MAPK11MAPK14MAPK13
SCHEMBL12120376 0.60 FPR2 (0.48) CYP2D6HRH3CHRNA7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542680-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS Amgen Inc. (US) 2005-06-22 EP disclosed
EP-1219701-B1 Transparent bar soap composition SHISEIDO HONECAKE INDUSTRY CO (JP) 2005-01-19 EP disclosed
WO-2004022055-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-03-18 WO disclosed
US-6656893-B2 Sodium salt or a mixed sodium/potassium salt of a fatty acid, amphoteric surfactant; a nonionic surfactant, and at least one glycerin derivative. SHISEIDO HONECAKE INDUSTRY CO., LTD. (JP) 2003-12-02 US disclosed
US-20020132743-A1 Transparent bar soap composition P&PF CO., LTD. (JP) 2002-09-19 US disclosed
EP-1219701-A1 Transparent bar soap composition Shiseido Honecake Industry Co., Ltd. (JP) 2002-07-03 EP 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-20020132743-A1 Transparent bar soap composition SGMS1, PHOSPHO1, SGMS2 NR3C1 2959/4885TLR9 1658/4885TLR8 2116/4885

“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.