SCHEMBL13397356

SCHEMBL13397356

CC(=O)N1CCC(N(C(C)C)C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.41
PIK3CD O00329 1/20 0.41
EPHX2 P34913 5/20 0.41
EPHX1 P07099 1/20 0.41
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
PER2 O15055 1/20 0.38
CRY1 Q16526 1/20 0.38
CRY2 Q49AN0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL24316244 0.89 ALDH1A1 (0.41) ALDH1A1MAPTTP53PIK3CDEPHX2
SCHEMBL13397341 0.82 ALDH1A1 (0.45) ALDH1A1MAPTTP53PIK3CDEPHX2
SCHEMBL13397270 0.82 ALDH1A1 (0.45) ALDH1A1MAPTTP53PIK3CDEPHX2
SCHEMBL13397444 0.78 GAA (0.44) ALDH1A1MAPTTP53PIK3CDHTT
SCHEMBL4550247 0.77 L3MBTL3 (0.58) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL19702056 0.76 ALDH1A1 (0.41) ALDH1A1MAPTTP53PIK3CDEPHX2
SCHEMBL19419455 0.76 NPY5R (0.43) ALDH1A1MAPTPIK3CDEPHX2EPHX1
SCHEMBL24316254 0.76 L3MBTL3 (0.41) ALDH1A1MAPTTP53EPHX2GAA
SCHEMBL16376310 0.75 HPGD (0.51) ALDH1A1MAPTEPHX1HTTKDM4E
SCHEMBL19710577 0.75 KDM4E (0.45) ALDH1A1EPHX2EPHX1CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD ALDH1A1 474/4885MAPT 3659/4885TP53 40/4885

“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.