SCHEMBL3051636

SCHEMBL3051636

O=C1c2ccc(O)cc2CCN1c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
CYP11B2 P19099 3/20 0.44
CYP11B1 P15538 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.43
MAOB P27338 2/20 0.43
GRM4 Q14833 1/20 0.43
GRM1 Q13255 1/20 0.43
MIF P14174 1/20 0.43
AOC3 Q16853 2/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
MAOA P21397 1/20 0.42
PRKCI P41743 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD3 P35462 1/20 0.42
MAPK14 Q16539 1/20 0.42
GSK3B P49841 1/20 0.41
NTRK1 P04629 1/20 0.40

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
SCHEMBL29438604 0.85 AOC3 (0.57) ESR1CYP11B2CYP11B1HSP90AA1MAOB
SCHEMBL22725977 0.85 AOC3 (0.57) ESR1CYP11B2CYP11B1HSP90AA1MAOB
SCHEMBL22713815 0.85 DDB1 (0.47) CYP11B2CYP11B1HSP90AA1MAOBGRM1
SCHEMBL3054265 0.82 AOC3 (0.47) MIFAOC3PRMT5WDR77DRD2
SCHEMBL22713726 0.81 CYP11B1 (0.53) ESR1CYP11B2CYP11B1MAOBMIF
SCHEMBL3054085 0.77 AOC3 (0.46) CYP11B2CYP11B1MAPTAOC3DRD2
SCHEMBL22725969 0.77 AOC3 (0.57) CYP11B2CYP11B1MAOBGRM4MIF
SCHEMBL12955566 0.77 CYP11B1 (0.46) ESR1CYP11B2CYP11B1MAOBAOC3
SCHEMBL29438688 0.77 AOC3 (0.57) CYP11B2CYP11B1MAOBGRM4MIF
SCHEMBL22725966 0.76 AOC3 (0.56) CYP11B2CYP11B1MAPTMAOBGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 US disclosed
US-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
EP-1917241-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2008-05-07 EP disclosed
EP-1907358-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2008-04-09 EP disclosed
WO-2007000339-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed
WO-2007000340-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 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-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors MAPK1, MAPKAPK2, MAPK7 ESR1 4185/4885CYP11B2 209/4885CYP11B1 191/4885
US-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPKAPK3 ESR1 4159/4885CYP11B2 307/4885CYP11B1 300/4885

“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.