SCHEMBL5016869

SCHEMBL5016869

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.41
SLC34A1 Q06495 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
RECQL P46063 3/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
CNR1 P21554 1/20 0.38
PDE2A O00408 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NOTUM Q6P988 1/20 0.37
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
S1PR2 O95136 1/20 0.37
TDP2 O95551 1/20 0.37
S1PR4 O95977 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
SCHEMBL12871462 0.87 CRHR1 (0.46) CRHR1SLC34A1NR1H2NR1H3RECQL
SCHEMBL5016806 0.85 SLC34A1 (0.45) CRHR1SLC34A1NR1H2NR1H3RECQL
SCHEMBL5027055 0.81 SMN1; SMN2 (0.40) CRHR1RECQLPDE4DPDE7ACYP1A2
SCHEMBL5025669 0.80 SIGMAR1 (0.41) SLC34A1PDE2AGRM5KDM4ETDP2
SCHEMBL17290692 0.78 SLC34A1 (0.41) CRHR1SLC34A1NR1H2NR1H3RECQL
SCHEMBL14996627 0.78 NR1H2 (0.44) CRHR1SLC34A1NR1H2NR1H3RECQL
SCHEMBL21834138 0.75 CCNC (0.46) PDE4DPDE7APDE2ANOTUMKDM4E
SCHEMBL20075458 0.75 ADORA2A (0.43) CRHR1SLC34A1NR1H2NR1H3RECQL
SCHEMBL27676266 0.73 CYP1A2 (0.45) NR1H2NR1H3RECQLPDE7ACNR1
SCHEMBL12871801 0.73 SMN1; SMN2 (0.40) KDM4EMEN1NPC1TDP2ALDH1A1

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
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG CRHR1 1443/4885SLC34A1 2873/4885NR1H2 5/4885

“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.