SCHEMBL10276904

SCHEMBL10276904

COC(=O)C1(O)CCCN(c2ncccc2N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MALT1 Q9UDY8 4/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL10278269 0.95 GRIN2D (0.42) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3954751 0.88 GRIN2D (0.40) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10278274 0.87 TRPV1 (0.45) L3MBTL1MALT1TSHRHSD17B10CYP2C19
SCHEMBL3436168 0.82 CYP1A2 (0.60) L3MBTL1CYP2C19CYP1A2CYP2C9MAPK1
SCHEMBL27684336 0.82 MALT1 (0.47) L3MBTL1MALT1TSHRHSD17B10CYP2C19
SCHEMBL4874028 0.82 MALT1 (0.53) MALT1
SCHEMBL3436768 0.82 TRPV1 (0.48) MALT1TSHRHSD17B10CYP2C19CYP2D6
SCHEMBL3435676 0.79 GRIN2D (0.39) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3435616 0.77 CYP1A2 (0.59) L3MBTL1CYP2C19CYP1A2CYP2C9MAPK1
SCHEMBL3436016 0.76 GRIN2D (0.42) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A

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 3 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
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 L3MBTL1 3267/4885GRIN2D 3357/4885GRIN3B 2621/4885

“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.