SCHEMBL10220355

SCHEMBL10220355

Cc1cc(CN2CCCN(c3nc4ccc(Cl)cc4s3)CC2)ccc1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.60
PPARG P37231 10/20 0.53
PPARA Q07869 8/20 0.53
CYP3A4 P08684 1/20 0.51
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
ACHE P22303 1/20 0.48
RAB9A P51151 5/20 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
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL10220347 0.97 PPARD (0.63) PPARDPPARGPPARACYP3A4RAB9A
SCHEMBL10220050 0.91 PPARD (0.54) PPARDPPARGPPARACYP3A4HCRTR1
SCHEMBL10220344 0.90 PPARD (0.73) PPARDPPARGPPARACYP3A4RAB9A
SCHEMBL10271191 0.89 PPARD (0.53) PPARDPPARGPPARACYP3A4HCRTR1
SCHEMBL10220048 0.88 PPARD (0.57) PPARDPPARGPPARACYP3A4HCRTR1
SCHEMBL10219494 0.87 PPARD (0.52) PPARDPPARGPPARACYP3A4HCRTR1
SCHEMBL10220247 0.85 PPARD (0.63) PPARDPPARGPPARAHCRTR1HCRTR2
SCHEMBL10220342 0.84 PPARD (0.59) PPARDPPARGPPARAACHERAB9A
SCHEMBL10219497 0.84 PPARD (0.55) PPARDPPARGPPARACYP3A4HCRTR1
SCHEMBL10220016 0.83 NPC1 (0.56) PPARDHCRTR1HCRTR2ACHERAB9A

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.