SCHEMBL963126

SCHEMBL963126

Cc1nn(C)c(-n2ccc3cc(C(F)(F)F)cnc32)c1CCCO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
NR3C1 P04150 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PDE2A O00408 1/20 0.31
CTSS P25774 1/20 0.31
MAPT P10636 2/20 0.31
CRHR1 P34998 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE10A Q9Y233 2/20 0.31
FFAR4 Q5NUL3 1/20 0.30
FYN P06241 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL5120321 0.88 POLB (0.35) POLBNR3C1ALDH1A1KDM4EMAPT
SCHEMBL27772780 0.86 POLB (0.36) POLBNR3C1ALDH1A1KDM4EMAPT
SCHEMBL966192 0.86 TSHR (0.31) ALDH1A1NPSR1
SCHEMBL962680 0.84 ALDH1A1 (0.33) POLBNR3C1ALDH1A1MAPTMEN1
SCHEMBL967502 0.84 POLB (0.46) POLBALDH1A1KDM4ELMNAGAA
SCHEMBL5119940 0.82 NR3C1 (0.34) POLBNR3C1GAAMAPTAGBL2
SCHEMBL961670 0.79 POLB (0.34) POLBCRHR1
SCHEMBL963320 0.78 TRPM8 (0.33) POLBLMNAMAPTCRHR1NPSR1
SCHEMBL964638 0.78 MAPT (0.35) POLBALDH1A1LMNAHPGDMAPT
SCHEMBL964579 0.78 TRPM8 (0.33) POLB

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 POLB 3524/4885NR3C1 250/4885ALDH1A1 421/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG POLB 1580/4885NR3C1 62/4885ALDH1A1 821/4885

“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.