SCHEMBL4268737

SCHEMBL4268737

CCCN1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
HDAC1 Q13547 7/20 0.43
HDAC6 Q9UBN7 7/20 0.43
AKT1 P31749 6/20 0.42
HDAC8 Q9BY41 1/20 0.40
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
OPRM1 P35372 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL29644468 1.00 NOTUM (0.43) NOTUMHDAC1HDAC6AKT1HDAC8
SCHEMBL13227806 0.88 AKT1 (0.44) NOTUMHDAC1HDAC6AKT1HDAC8
SCHEMBL21989268 0.85 HDAC1 (0.43) NOTUMHDAC1HDAC6AKT1HDAC8
SCHEMBL20955326 0.82 HDAC1 (0.42) NOTUMHDAC1HDAC6AKT1HDAC8
SCHEMBL1587507 0.81 SLC18A3 (0.50) NOTUMHDAC1HDAC6AKT1HDAC8
SCHEMBL31707401 0.81 SLC18A3 (0.50) NOTUMHDAC1HDAC6AKT1HDAC8
SCHEMBL20955066 0.80 NOTUM (0.44) NOTUMHDAC1HDAC6AKT1HDAC8
Hydrochloric Acid SCHEMBL28998916 0.80 SLC18A3 (0.49) NOTUMHDAC1HDAC6AKT1HDAC8
SCHEMBL4262376 0.79 HDAC1 (0.38) NOTUMHDAC1HDAC6AKT1HDAC8
SCHEMBL25422295 0.79 NOTUM (0.54) NOTUMHDAC1HDAC6AKT1HDAC8

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 NOTUM 3998/4885HDAC1 230/4885HDAC6 508/4885

“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.