SCHEMBL3569131

SCHEMBL3569131

COC(=O)C1(O)CCN(c2ccccc2N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.47
KEAP1 Q14145 1/20 0.46
KMT2A Q03164 5/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 3/20 0.45
USP2 O75604 1/20 0.45
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 4/20 0.41
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 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
SCHEMBL3961177 0.92 ADRA2C (0.42) ADRA2CKEAP1KMT2AGAAMEN1
SCHEMBL15217514 0.86 ADRA2C (0.47) ADRA2CKEAP1KMT2AGAAMEN1
SCHEMBL3436512 0.84 ALDH1A1 (0.51) KMT2ANPC1ALDH1A1HSD17B10KDM4E
SCHEMBL13999780 0.82 KEAP1 (0.51) ADRA2CKEAP1KMT2AGAAMEN1
SCHEMBL3577093 0.81 KDM4E (0.38) KMT2AGAAMEN1NPC1ALDH1A1
SCHEMBL10278269 0.79 GRIN2D (0.42) KMT2AHSD17B10CYP3A4CYP2C19
SCHEMBL3541843 0.79 KMT2A (0.50) KMT2AGAAMEN1ALDH1A1NPSR1
SCHEMBL3215428 0.77 DRD2 (0.41) ADRA2CKEAP1KMT2AGAAMEN1
SCHEMBL3434298 0.77 ADRA2C (0.47) ADRA2CKEAP1KMT2AGAAMEN1
SCHEMBL3224607 0.77 KEAP1 (0.45) ADRA2CKEAP1KMT2AGAAMEN1

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 ADRA2C 161/4885KEAP1 1485/4885KMT2A 1707/4885

“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.