SCHEMBL10219604

SCHEMBL10219604

OCc1cccc(CN2CCCN(c3nc4ccc(C(F)(F)F)cc4s3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.61
PPARG P37231 9/20 0.61
PPARA Q07869 8/20 0.61
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL10219602 0.96 PPARD (0.65) PPARDPPARGPPARAHRH3MEN1
SCHEMBL10219642 0.91 PPARD (0.59) PPARDPPARGPPARAHRH3MEN1
SCHEMBL10220390 0.89 PPARD (0.75) PPARDPPARGPPARAHRH3MEN1
SCHEMBL10219628 0.89 PPARD (0.75) PPARDPPARGPPARAHRH3MEN1
SCHEMBL10219686 0.88 PPARD (0.56) PPARDPPARGPPARAHRH3MEN1
SCHEMBL14143819 0.86 PPARD (0.65) PPARDPPARGPPARAHRH3MEN1
SCHEMBL10219646 0.86 PPARD (0.62) PPARDPPARGPPARAHRH3MEN1
SCHEMBL10219598 0.85 RAB9A (0.58) HRH3MEN1KMT2ANPC1RAB9A
SCHEMBL10220629 0.85 PPARD (0.80) PPARDPPARGPPARAMEN1KMT2A
SCHEMBL10219623 0.85 PPARD (0.80) PPARDPPARGPPARAHRH3MEN1

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.