SCHEMBL5823065

SCHEMBL5823065

COc1ccc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.69
MAPK14 Q16539 4/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CCR3 P51677 2/20 0.54
CCR5 P51681 2/20 0.54
CPS1 P31327 1/20 0.52
CHRM2 P08172 1/20 0.51

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
SCHEMBL3883491 0.89 MAPK14 (0.60) HSD11B1MAPK14CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5823073 0.89 CYP2C9 (0.77) HSD11B1MAPK14CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13791955 0.82 CYP2C9 (0.60) HSD11B1MAPK14CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5317704 0.82 MAPK14 (0.69) HSD11B1MAPK14CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5821507 0.81 CYP2C9 (0.71) MAPK14CYP2C9CYP2C19SMN1; SMN2HTT
SCHEMBL14427924 0.80 MAPK14 (0.67) HSD11B1MAPK14CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5323527 0.80 MAPK14 (0.76) HSD11B1MAPK14CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1064744 0.80 MAPK14 (0.65) MAPK14CYP2C9CYP2C19NPC1CHRM2
SCHEMBL14427930 0.79 MAPK14 (0.81) HSD11B1MAPK14CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3874271 0.79 CYP2C9 (0.55) HSD11B1MAPK14CYP2C9CYP2C19ALDH1A1

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 13 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-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 HSD11B1 2313/4885MAPK14 19/4885CYP2C9 4510/4885
US-20020115671-A1 Inhibitors of p38-a kinase MAPK1, MAP3K1, MAP3K6 HSD11B1 636/4885MAPK14 37/4885CYP2C9 4360/4885

“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.