SCHEMBL718675

SCHEMBL718675

CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nn1CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 3/20 0.57
FAAH O00519 2/20 0.55
MAPT P10636 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
TRPM2 O94759 1/20 0.43

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
SCHEMBL5025713 0.91 POLB (0.55) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL4681188 0.91 POLB (0.55) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL4688975 0.89 SMN1; SMN2 (0.58) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL718990 0.87 FAAH (0.59) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL4095588 0.87 SMN1; SMN2 (0.51) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL4682094 0.87 SMN1; SMN2 (0.79) SMN1; SMN2POLBTDP1MAPTL3MBTL1
SCHEMBL4685138 0.86 FAAH (0.54) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL4678362 0.85 HDAC6 (0.46) SMN1; SMN2POLBTDP1FAAHALDH1A1
SCHEMBL4682039 0.84 MAPT (0.76) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL4089570 0.83 SMN1; SMN2 (0.47) SMN1; SMN2POLBTDP1FAAHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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
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 (3 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMN1; SMN2 1051/4885POLB 4719/4885TDP1 4750/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMN1; SMN2 1051/4885POLB 4719/4885TDP1 4750/4885
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG SMN1; SMN2 4244/4885POLB 2066/4885TDP1 2766/4885

“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.