SCHEMBL5823073

SCHEMBL5823073

COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.77
CYP2C19 P33261 4/20 0.77
MAPK14 Q16539 4/20 0.77
MEN1 O00255 8/20 0.63
KMT2A Q03164 8/20 0.63
NPC1 O15118 1/20 0.63
HTT P42858 1/20 0.61
POLB P06746 1/20 0.61
HTR2B P41595 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
HSD11B1 P28845 1/20 0.56
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
RYR2 Q92736 1/20 0.55

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
SCHEMBL5821507 0.91 CYP2C9 (0.71) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL5823065 0.89 HSD11B1 (0.69) CYP2C9CYP2C19MAPK14NPC1HTT
SCHEMBL3883491 0.89 MAPK14 (0.60) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL5820252 0.89 CYP2C9 (0.77) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL13791955 0.88 CYP2C9 (0.60) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL7234983 0.87 CYP2C9 (1.00) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL159145 0.86 CYP2C9 (0.72) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL3874271 0.85 CYP2C9 (0.55) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL9785782 0.84 LTB4R (0.64) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL13791958 0.82 CYP2C9 (0.52) CYP2C9CYP2C19MAPK14MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002523448-A 2002-07-30 JP claimed
US-6410540-B1 HEART AND KIDNEY DISEASES; ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-06-25 US claimed
EP-1107758-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2001-06-20 EP claimed
WO-2000012074-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2000-03-09 WO claimed
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-20060241150-A1 P38 kinase inhibitor compositions and methods of using the same THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2006-10-26 US disclosed
EP-1631145-A2 P38 KINASE INHIBITOR COMPOSITIONS AND METHODS OF USING THE SAME The Trustees of The University of Pennsylvania (US) 2006-03-08 EP disclosed
WO-2005000405-A2 P38 KINASE INHIBITOR COMPOSITIONS AND METHODS OF USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-01-06 WO disclosed
US-6541477-B2 Treating inflammation and cardiac conditions with compositions containing acylated piperazine or piperidine rings coupled to phenyl and other aryl groups, such a furan or thiophene SCIOS, INC. 2003-04-01 US disclosed
US-20020115671-A1 Inhibitors of p38-a kinase SCIOS, INC. 2002-08-22 US disclosed
US-6410540-B1 HEART AND KIDNEY DISEASES; ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-06-25 US disclosed
WO-2001064676-A2 INHIBITORS OF p38-α KINASE SCIOS, INC. (US) 2001-09-07 WO disclosed
EP-1107758-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2001-06-20 EP disclosed
WO-2000012074-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2000-03-09 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-20060241150-A1 P38 kinase inhibitor compositions and methods of using the same MAPK7, MAPK1, MAP3K7 CYP2C9 4510/4885CYP2C19 4413/4885MAPK14 19/4885
US-20020115671-A1 Inhibitors of p38-a kinase MAPK1, MAP3K1, MAP3K6 CYP2C9 4360/4885CYP2C19 3780/4885MAPK14 37/4885

“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.