SCHEMBL5025669

SCHEMBL5025669

Cc1c(-c2ccc(C(F)(F)F)cc2)nn(C)c1CO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE2A O00408 5/20 0.41
TDP2 O95551 1/20 0.40
PDE5A O76074 1/20 0.40
SLC34A1 Q06495 2/20 0.40
SCN9A Q15858 2/20 0.40
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TRPM2 O94759 1/20 0.37

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
SCHEMBL12871770 0.88 SIGMAR1 (0.43) SIGMAR1PDE2ATDP2SLC34A1SCN9A
SCHEMBL5026995 0.84 SMN1; SMN2 (0.40) SIGMAR1SMN1; SMN2PDE2ATDP2PDE5A
SCHEMBL5016869 0.80 CRHR1 (0.41) SMN1; SMN2PDE2ATDP2SLC34A1GRM5
SCHEMBL17290306 0.80 KIF11 (0.43) SIGMAR1TDP2SLC34A1SCN9AGRM5
SCHEMBL14996673 0.80 TDP2 (0.45) SIGMAR1PDE2ATDP2SLC34A1SCN9A
SCHEMBL5022731 0.78 SIGMAR1 (0.36) SIGMAR1PDE2ATDP2SLC34A1SCN9A
SCHEMBL20075500 0.77 MAPK14 (0.46) SIGMAR1PDE2ATDP2SLC34A1SCN9A
SCHEMBL12859416 0.76 TDP2 (0.42) SIGMAR1PDE2ATDP2SLC34A1SCN9A
SCHEMBL12871466 0.74 SIGMAR1 (0.42) SIGMAR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL31617222 0.74 SCN9A (0.44) SIGMAR1PDE2ATDP2SLC34A1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100467463-C Pyrazolylindolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
CN-1930150-A Pyrazolyl indolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG SIGMAR1 495/4885SMN1; SMN2 4244/4885PDE2A 521/4885

“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.