SCHEMBL3066232

SCHEMBL3066232

CCC(=O)NCc1ccc(N2CCCCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.56
MAPT P10636 2/20 0.47
PARP1 P09874 1/20 0.47
CACNA1H O95180 5/20 0.47
SMO Q99835 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL3061099 0.99 AOC3 (0.55) AOC3MAPTPARP1CACNA1HSMO
SCHEMBL3064209 0.87 AOC3 (0.45) AOC3MAPTPARP1SMOALDH1A1
SCHEMBL3058291 0.82 HTT (0.46) AOC3ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL3060073 0.80 PARP1 (0.51) AOC3MAPTPARP1SMOALDH1A1
SCHEMBL27308006 0.79 AOC3 (0.51) AOC3CACNA1HSMOCACNA1GCACNA1I
SCHEMBL2139557 0.78 ALDH1A1 (0.54) AOC3MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL21921161 0.77 AOC3 (0.50) AOC3MAPTCACNA1HSMOALDH1A1
SCHEMBL2137278 0.77 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL8429477 0.77 CYP1A2 (0.54) AOC3MAPTALDH1A1KDM4ELMNA
SCHEMBL13445134 0.77 SMO (0.82) SMO

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-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S AOC3 4426/4885MAPT 1379/4885PARP1 3793/4885

“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.