SCHEMBL4159670

SCHEMBL4159670

[CH]1CCCN2CCCC[C@@H]12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR6 P50406 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL206897 1.00 CYP2D6 (0.33) CYP2D6MEN1KMT2ALMNAL3MBTL3
SCHEMBL206436 0.98 CYP2D6 (0.32) CYP2D6MEN1KMT2ALMNAL3MBTL3
SCHEMBL204532 0.98 CYP2D6 (0.32) CYP2D6MEN1KMT2ALMNAL3MBTL3
SCHEMBL735235 0.95 CYP2D6 (0.33) CYP2D6MEN1KMT2ALMNAL3MBTL3
SCHEMBL736026 0.93 CYP2D6 (0.32) CYP2D6MEN1KMT2ALMNAL3MBTL3
SCHEMBL737923 0.93 CYP2D6 (0.32) CYP2D6MEN1KMT2ALMNAL3MBTL3
SCHEMBL739014 0.93 CYP2D6 (0.32) CYP2D6MEN1KMT2ALMNAL3MBTL3
SCHEMBL736908 0.92 L3MBTL3 (0.32) CYP2D6MEN1KMT2ALMNAL3MBTL3
SCHEMBL9469528 0.92
SCHEMBL737602 0.90 L3MBTL3 (0.31) L3MBTL3L3MBTL1

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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 US disclosed
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 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 (2 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-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 CYP2D6 3491/4885MEN1 4119/4885KMT2A 44/4885
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 CYP2D6 3094/4885MEN1 3953/4885KMT2A 20/4885

“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.