SCHEMBL4262376

SCHEMBL4262376

CCN1CC2(CCNC2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.38
HDAC6 Q9UBN7 8/20 0.38
HDAC8 Q9BY41 2/20 0.38
AKT1 P31749 5/20 0.37
NOTUM Q6P988 2/20 0.37
HTR2A P28223 2/20 0.36
DRD2 P14416 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
BACE1 P56817 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
SCHEMBL13227806 0.91 AKT1 (0.44) HDAC1HDAC6HDAC8AKT1NOTUM
SCHEMBL13227640 0.82 NOTUM (0.51) HDAC1HDAC6HDAC8NOTUMOPRM1
SCHEMBL4270092 0.81 SLC18A3 (0.45) HDAC1HDAC6HDAC8AKT1NOTUM
SCHEMBL12847643 0.81 NOTUM (0.42) HDAC1HDAC6AKT1NOTUMHTR2A
SCHEMBL12847767 0.81 NOTUM (0.42) HDAC1HDAC6AKT1NOTUMHTR2A
SCHEMBL13227647 0.80 HDAC1 (0.50) HDAC1HDAC6HDAC8NOTUMSLC6A2
SCHEMBL13227641 0.80 NOTUM (0.54) HDAC1HDAC6HDAC8NOTUMSLC6A2
SCHEMBL4268737 0.79 NOTUM (0.43) HDAC1HDAC6HDAC8AKT1NOTUM
SCHEMBL29644468 0.79 NOTUM (0.43) HDAC1HDAC6HDAC8AKT1NOTUM
SCHEMBL13227637 0.78 HDAC1 (0.52) HDAC1HDAC6HDAC8NOTUMSLC6A2

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-20090111805-A1 BICYCLIC HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2009-04-30 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-20090111805-A1 BICYCLIC HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNB1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNY HDAC1 230/4885HDAC6 508/4885HDAC8 1792/4885

“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.