SCHEMBL1167503

SCHEMBL1167503

CC(C)OCCc1cccc(-c2ocnc2C(=O)OC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.41
HCRTR2 O43614 12/20 0.40
GSK3B P49841 4/20 0.40
HCRTR1 O43613 4/20 0.40
CARM1 Q86X55 1/20 0.38
ADORA2A P29274 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL1166823 0.89 FBP1 (0.42) FBP1HCRTR2GSK3BHCRTR1CARM1
SCHEMBL1167752 0.89 HCRTR2 (0.45) FBP1HCRTR2GSK3BHCRTR1CARM1
SCHEMBL1167066 0.80 GSK3B (0.53) FBP1HCRTR2GSK3BHCRTR1
SCHEMBL1166258 0.77 ADRB2 (0.46) FBP1HCRTR2GSK3BHCRTR1CARM1
SCHEMBL1166792 0.76 GSK3B (0.51) FBP1HCRTR2GSK3BHCRTR1ADORA2A
SCHEMBL1166864 0.76 CYP4F2 (0.52) FBP1HCRTR2GSK3BHCRTR1ADORA2A
SCHEMBL1166205 0.74 GSK3B (0.43) FBP1HCRTR2GSK3BHCRTR1
SCHEMBL27832921 0.74 CARM1 (0.33) HCRTR2HCRTR1CARM1
SCHEMBL1166876 0.73 GSK3B (0.50) FBP1HCRTR2GSK3BHCRTR1ADORA2A
SCHEMBL5474080 0.72 LOXL2 (0.51) FBP1HCRTR2GSK3BHCRTR1CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
CN-101903353-B Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2013-04-10 CN disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
CN-101903353-A Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 FBP1 1879/4885HCRTR2 2700/4885GSK3B 2540/4885
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R FBP1 1975/4885HCRTR2 55/4885GSK3B 3562/4885

“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.