SCHEMBL13888481

SCHEMBL13888481

CNC(C)C1CCCCN(C)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 7/20 0.35
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL13713091 0.86 NCF1 (0.32)
SCHEMBL13576372 0.86 NCF1 (0.32)
SCHEMBL13890375 0.79 KAT2B (0.35) KAT2BSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL17173930 0.79 KAT2B (0.35) KAT2BSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL17173932 0.79 KAT2B (0.35) KAT2BSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL19844822 0.78 KAT2B (0.35) KAT2BSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL19844823 0.78 KAT2B (0.35) KAT2BSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27312352 0.77
SCHEMBL3244738 0.76
SCHEMBL17469477 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 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-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C KAT2B 2336/4885SLC6A2 387/4885SLC6A4 389/4885

“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.