SCHEMBL10219908

SCHEMBL10219908

COC(=O)Cc1cccc(OCCN2CCCN(c3nc4ccc(Cl)cc4s3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.60
PPARG P37231 12/20 0.60
PPARA Q07869 6/20 0.60
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
CYP2C9 P11712 2/20 0.48
ACHE P22303 1/20 0.48
GALR3 O60755 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
NR2F2 P24468 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL10220168 0.91 PPARD (0.71) PPARDPPARGPPARACYP2C9
SCHEMBL10219891 0.89 PPARD (0.64) PPARDPPARGPPARACYP2C9MAPT
SCHEMBL4637175 0.82 PPARD (0.66) PPARDPPARGPPARACYP2C9
SCHEMBL10271394 0.81 PPARD (0.51) PPARDPPARGPPARACYP2C9GAA
SCHEMBL10220164 0.81 PPARD (0.61) PPARDPPARGPPARAHCRTR1HCRTR2
SCHEMBL10220782 0.80 PPARD (0.72) PPARDPPARGPPARACYP2C9ACHE
SCHEMBL333917 0.80 PPARD (0.62) PPARDPPARGPPARAHCRTR1HCRTR2
SCHEMBL10219912 0.80 PPARD (0.69) PPARDPPARGPPARA
SCHEMBL10219910 0.80 PPARD (0.79) PPARDPPARGPPARAHCRTR1HCRTR2
SCHEMBL10220718 0.80 PPARD (0.78) PPARDPPARGPPARAHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG PPARD 1/4885PPARG 3/4885PPARA 2/4885

“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.