SCHEMBL2080461

SCHEMBL2080461

COC(=O)c1coc([C@H]2CCCN2C(C)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
GCK P35557 3/20 0.35
TBXA2R P21731 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34

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
SCHEMBL3436231 0.86 ALDH1A1 (0.49) TP53MAPT
SCHEMBL13209888 0.86 ALDH1A1 (0.49) TP53MAPT
SCHEMBL3436270 0.86 HCRTR1 (0.42) HCRTR1HCRTR2TP53MAPTGCK
SCHEMBL10277996 0.84 OPRK1 (0.35) OPRK1MAPTTBXA2RCDK5DYRK1A
SCHEMBL17069036 0.80 HCRTR1 (0.41) HCRTR1HCRTR2TP53MAPTBAZ2A
SCHEMBL475407 0.80 AADAT (0.51) TP53HSD17B10
SCHEMBL475406 0.80 AADAT (0.51) TP53HSD17B10
SCHEMBL3556380 0.77 TP53 (0.39) HCRTR1HCRTR2TP53MAPTBAZ2A
SCHEMBL2562744 0.75 DAGLA (0.39) OPRK1DYRK1A
SCHEMBL1273186 0.74 ALDH1A1 (0.37) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426774-B Azolecarboxamide derivative ASTELLAS PHARMA INC 2012-04-25 CN disclosed
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
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN 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 OPRK1 237/4885HCRTR1 983/4885HCRTR2 605/4885

“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.