SCHEMBL334123

SCHEMBL334123

CC1CNCC(C)N1c1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
SCN4A P35499 2/20 0.49
EPHX2 P34913 1/20 0.49
PPARA Q07869 10/20 0.46
PPARD Q03181 10/20 0.46
PPARG P37231 9/20 0.46
CYP2D6 P10635 1/20 0.46
DYRK1A Q13627 1/20 0.44
SCN9A Q15858 1/20 0.41
CSNK1D P48730 2/20 0.40

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
SCHEMBL10220919 1.00 HTR2A (0.49) HTR2AHTR2CHTR2BSCN4AEPHX2
SCHEMBL10219295 0.84 PPARD (0.51) SCN4AEPHX2PPARAPPARDPPARG
SCHEMBL10219283 0.84 PPARD (0.51) SCN4AEPHX2PPARAPPARDPPARG
SCHEMBL10219278 0.84 PPARD (0.51) SCN4AEPHX2PPARAPPARDPPARG
SCHEMBL23744493 0.80 PPARD (0.49) SCN4AEPHX2PPARAPPARDPPARG
SCHEMBL10219141 0.80 PPARD (0.49) SCN4AEPHX2PPARAPPARDPPARG
SCHEMBL10220922 0.79 PPARD (0.52) SCN4AEPHX2PPARAPPARDPPARG
SCHEMBL334293 0.79 PPARD (0.52) SCN4AEPHX2PPARAPPARDPPARG
SCHEMBL23744747 0.79 PPARA (0.48) SCN4AEPHX2PPARAPPARDPPARG
SCHEMBL10219145 0.79 PPARA (0.48) SCN4AEPHX2PPARAPPARDPPARG

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 HTR2A 809/4885HTR2C 947/4885HTR2B 931/4885

“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.