SCHEMBL3435706

SCHEMBL3435706

CCOC(=O)C1CCN(c2ccc(F)cc2N)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.65
ALDH1A1 P00352 7/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 4/20 0.54
TP53 P04637 2/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 2/20 0.49
GAA P10253 1/20 0.48
SHMT2 P34897 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL3436603 0.88 ALDH1A1 (0.60) LGMNALDH1A1TDP1MAPTTP53
SCHEMBL13999703 0.86 LGMN (0.67) LGMNALDH1A1TDP1MAPTTP53
SCHEMBL3554337 0.85 LGMN (0.65) LGMNALDH1A1MAPTTP53HTT
SCHEMBL3436027 0.84 LGMN (0.64) LGMNALDH1A1TDP1MAPTTP53
SCHEMBL2080093 0.82 LGMN (0.71) LGMNALDH1A1MAPTTP53HTT
SCHEMBL3435055 0.81 MAPT (0.74) LGMNALDH1A1TDP1MAPTTP53
SCHEMBL1749330 0.79 MAPT (0.68) LGMNALDH1A1TDP1MAPTHPGD
Hydrochloric Acid SCHEMBL5427235 0.79 GAA (0.59) ALDH1A1TDP1MAPTHTTHPGD
SCHEMBL3543466 0.79 LGMN (0.54) LGMNALDH1A1TDP1MAPTTP53
SCHEMBL38658281 0.78 LGMN (0.76) LGMNALDH1A1TDP1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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 (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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 LGMN 3912/4885ALDH1A1 975/4885TDP1 1881/4885

“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.