SCHEMBL11922980

SCHEMBL11922980

CN1CC2C1CN2c1ccc2ncn(C)c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
IP6K1 Q92551 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ACVR1 Q04771 2/20 0.43
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TGFBR1 P36897 4/20 0.37
DRD2 P14416 2/20 0.37
ACVR1B P36896 1/20 0.36
MAPK14 Q16539 3/20 0.35
BRAF P15056 1/20 0.35
SYK P43405 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
SCHEMBL16103946 1.00 L3MBTL1 (0.47) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL17044018 0.80 L3MBTL1 (0.45) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL6888079 0.80 L3MBTL1 (0.45) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL11922772 0.79 PARG (0.44) DRD2MAPK14
SCHEMBL16103944 0.79 PARG (0.44) DRD2MAPK14
SCHEMBL11905218 0.77 L3MBTL1 (0.44) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL11905220 0.77 L3MBTL1 (0.44) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL11905224 0.77 L3MBTL1 (0.44) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL11905640 0.77 L3MBTL1 (0.44) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL11922373 0.76 PARG (0.36) L3MBTL1KDM4EALDH1A1

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-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 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-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 L3MBTL1 4613/4885IP6K1 3231/4885KDM4E 2824/4885

“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.