SCHEMBL3436027

SCHEMBL3436027

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.64
ALDH1A1 P00352 7/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 8/20 0.56
KDM4E B2RXH2 4/20 0.56
GAA P10253 4/20 0.54
TSHR P16473 3/20 0.54
HPGD P15428 3/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CASP1 P29466 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 3/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.52

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
SCHEMBL20522579 0.91 LGMN (0.74) LGMNALDH1A1MEN1KMT2APOLB
SCHEMBL3436572 0.88 ALDH1A1 (0.66) LGMNALDH1A1MEN1KMT2APOLB
SCHEMBL13999703 0.85 LGMN (0.67) LGMNALDH1A1MEN1KMT2APOLB
SCHEMBL3435706 0.84 LGMN (0.65) LGMNALDH1A1MEN1KMT2APOLB
SCHEMBL3554337 0.84 LGMN (0.65) LGMNALDH1A1MEN1KMT2APOLB
SCHEMBL20522578 0.83 ALDH1A1 (0.64) LGMNALDH1A1MEN1KMT2APOLB
SCHEMBL20522649 0.83 ALDH1A1 (0.64) LGMNALDH1A1MEN1KMT2APOLB
SCHEMBL2080093 0.81 LGMN (0.71) LGMNALDH1A1MEN1KMT2AMAPT
SCHEMBL3139067 0.80 MAPT (0.67) LGMNALDH1A1MEN1KMT2APOLB
SCHEMBL20522603 0.80 MAPT (0.63) LGMNALDH1A1MEN1KMT2APOLB

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 2 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 LGMN 3912/4885ALDH1A1 975/4885MEN1 4778/4885

“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.