SCHEMBL4103603

SCHEMBL4103603

COc1ccccc1-c1ccnc(NC2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.62
BACE1 P56817 7/20 0.62
EZH2 Q15910 1/20 0.52
KDM1A O60341 1/20 0.52
EHMT2 Q96KQ7 1/20 0.52
RCOR1 Q9UKL0 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
NSD2 O96028 3/20 0.52
HRH3 Q9Y5N1 1/20 0.51
CXCR4 P61073 1/20 0.51
APP P05067 1/20 0.50

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
SCHEMBL13039315 0.80 ACHE (0.56) ACHEBACE1HRH3CXCR4
SCHEMBL4108213 0.80 NSD2 (0.59) ACHEBACE1EZH2MEN1POLB
SCHEMBL5432812 0.77 ACHE (0.69) ACHEBACE1HRH3CXCR4
SCHEMBL13039350 0.77 CXCR4 (0.57) ACHEBACE1HRH3CXCR4
SCHEMBL18657578 0.76 ACHE (0.65) ACHEBACE1HRH3CXCR4
SCHEMBL2341635 0.75 ACHE (0.64) ACHEBACE1POLBHRH3CXCR4
SCHEMBL8487979 0.75 ACHE (0.69) ACHEBACE1EZH2EHMT2MEN1
SCHEMBL3472523 0.75 ACHE (0.58) ACHEBACE1MEN1KMT2AHRH3
SCHEMBL4516500 0.75 ACHE (0.55) ACHEBACE1HRH3CXCR4
SCHEMBL16538495 0.74 ACHE (0.48) ACHEBACE1HRH3CXCR4

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-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 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-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 ACHE 114/4885BACE1 4371/4885EZH2 1827/4885

“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.