SCHEMBL334293

SCHEMBL334293

CC1CN(CCO)CC(C)N1c1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.52
PPARG P37231 11/20 0.52
PPARA Q07869 11/20 0.52
CYP2D6 P10635 1/20 0.43
EPHX2 P34913 1/20 0.43
SCN4A P35499 1/20 0.43
DYRK1A Q13627 1/20 0.42
CSNK1D P48730 2/20 0.41
ACP1 P24666 1/20 0.41

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
SCHEMBL10220922 1.00 PPARD (0.52) PPARDPPARGPPARACYP2D6EPHX2
SCHEMBL10219842 0.81 PPARG (0.59) PPARDPPARGPPARACYP2D6EPHX2
SCHEMBL10220919 0.79 HTR2A (0.49) PPARDPPARGPPARACYP2D6EPHX2
SCHEMBL334123 0.79 HTR2A (0.49) PPARDPPARGPPARACYP2D6EPHX2
SCHEMBL334460 0.78 PPARD (0.68) PPARDPPARGPPARACSNK1D
SCHEMBL10220936 0.78 PPARD (0.68) PPARDPPARGPPARACSNK1D
SCHEMBL10220944 0.77 PPARD (0.83) PPARDPPARGPPARA
SCHEMBL10219746 0.77 PPARG (0.55) PPARDPPARGPPARA
SCHEMBL10220927 0.76 PPARD (0.64) PPARDPPARGPPARA
SCHEMBL334129 0.76 PPARD (0.76) PPARDPPARGPPARA

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 3 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-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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.