SCHEMBL3874271

SCHEMBL3874271

COc1ccc(C(=O)N2CCC(Cc3ccccc3N)CC2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPK14 Q16539 1/20 0.55
HTT P42858 1/20 0.54
HSD11B1 P28845 1/20 0.53
OXTR P30559 2/20 0.51
TSHR P16473 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.45
CPS1 P31327 1/20 0.45
HCRTR2 O43614 2/20 0.45
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45
HCRTR1 O43613 1/20 0.44

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
SCHEMBL5823073 0.85 CYP2C9 (0.77) CYP2C9CYP2C19MAPK14HTTHSD11B1
SCHEMBL3883491 0.83 MAPK14 (0.60) CYP2C9CYP2C19MAPK14HTTHSD11B1
SCHEMBL13791955 0.82 CYP2C9 (0.60) CYP2C9CYP2C19MAPK14HTTHSD11B1
SCHEMBL5823065 0.79 HSD11B1 (0.69) CYP2C9CYP2C19MAPK14HTTHSD11B1
SCHEMBL5821507 0.77 CYP2C9 (0.71) CYP2C9CYP2C19MAPK14HTTOXTR
SCHEMBL3587135 0.76 PIK3CG (0.52) KMT2AMEN1NPC1POLBHTR1A
SCHEMBL10090869 0.75 HSD11B1 (0.69) HTTHSD11B1OXTRTSHRKMT2A
SCHEMBL5820252 0.74 CYP2C9 (0.77) CYP2C9CYP2C19MAPK14KMT2AMEN1
SCHEMBL6710672 0.73 HPGD (0.68) HTTHSD11B1TSHRKMT2AMEN1
SCHEMBL29944001 0.73 HPGD (0.68) HTTHSD11B1TSHRKMT2AMEN1

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-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US 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-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 CYP2C9 470/4885CYP2C19 204/4885MAPK14 26/4885

“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.