SCHEMBL718990

SCHEMBL718990

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.59
MAPT P10636 2/20 0.58
POLB P06746 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
RAB9A P51151 1/20 0.47
GCGR P47871 5/20 0.45
ALDH1A1 P00352 1/20 0.45
ELANE P08246 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 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
SCHEMBL2428624 0.91 MAPT (0.56) FAAHMAPTPOLBSMN1; SMN2TDP1
SCHEMBL4683632 0.88 GCGR (0.49) FAAHMAPTPOLBSMN1; SMN2TDP1
SCHEMBL14290010 0.88 MAPT (0.53) FAAHMAPTPOLBSMN1; SMN2TDP1
SCHEMBL4682703 0.87 MAPT (0.79) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL4679879 0.87 MAPT (0.53) FAAHMAPTPOLBSMN1; SMN2TDP1
SCHEMBL2423765 0.87 FAAH (0.59) FAAHMAPTPOLBSMN1; SMN2TDP1
SCHEMBL718675 0.87 SMN1; SMN2 (0.57) FAAHMAPTPOLBSMN1; SMN2TDP1
SCHEMBL2423857 0.84 MAPT (0.48) FAAHMAPTPOLBSMN1; SMN2TDP1
SCHEMBL4688975 0.83 SMN1; SMN2 (0.58) FAAHMAPTPOLBSMN1; SMN2TDP1
SCHEMBL4682118 0.83 MAPT (0.47) FAAHMAPTPOLBSMN1; SMN2TDP1

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-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

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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP FAAH 4513/4885MAPT 4533/4885POLB 4719/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP FAAH 4513/4885MAPT 4533/4885POLB 4719/4885

“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.