SCHEMBL10154089

SCHEMBL10154089

CNCc1ccc(N2CCOCC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
AOC3 Q16853 1/20 0.53
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PARP1 P09874 1/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 1/20 0.48
CNR2 P34972 4/20 0.46

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
SCHEMBL23380109 0.86 NCF1 (0.49) CYP11B1CYP11B2AOC3ALDH1A1MAPT
SCHEMBL21921161 0.86 AOC3 (0.50) CYP11B1CYP11B2AOC3ALDH1A1MAPT
SCHEMBL149381 0.83 CYP11B1 (0.60) CYP11B1CYP11B2AOC3ALDH1A1HSD17B10
SCHEMBL14303892 0.82 TAAR1 (0.46) CYP11B1CYP11B2
SCHEMBL2570320 0.81 AOC3 (0.53) CYP11B1CYP11B2AOC3ALDH1A1HSD17B10
SCHEMBL8281443 0.80 CYP11B1 (0.58) CYP11B1CYP11B2AOC3ALDH1A1HSD17B10
SCHEMBL1240178 0.80 CYP11B1 (0.57) CYP11B1CYP11B2AOC3ALDH1A1HSD17B10
SCHEMBL857231 0.80 CYP11B1 (0.57) CYP11B1CYP11B2AOC3ALDH1A1HSD17B10
SCHEMBL18291866 0.80 CYP11B1 (0.57) CYP11B1CYP11B2AOC3ALDH1A1HSD17B10
SCHEMBL17221698 0.80 CYP11B1 (0.57) CYP11B1CYP11B2AOC3ALDH1A1HSD17B10

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-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA CYP11B1 1158/4885CYP11B2 515/4885AOC3 2545/4885

“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.