SCHEMBL2268436

SCHEMBL2268436

COCCN(C)C(=O)c1cccc(OC2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
BRD4 O60885 4/20 0.46
AR P10275 4/20 0.46
KCNH2 Q12809 2/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
XBP1 P17861 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.40
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL2264817 0.84 MAPT (0.52) BRD4ARKCNH2MAPTALDH1A1
SCHEMBL2263206 0.83 AR (0.49) BRD4ARKCNH2MAPTALDH1A1
SCHEMBL2265960 0.83 BRD4 (0.58) BRD4ARKCNH2MAPTALDH1A1
SCHEMBL2268407 0.78 HTT (0.54) L3MBTL1BRD4ARKCNH2MAPT
SCHEMBL12368267 0.76 MAPT (0.65) BRD4ARKCNH2MAPTALDH1A1
SCHEMBL2266402 0.75 BRD4 (0.64) BRD4ARKCNH2HTTTDP1
SCHEMBL2265836 0.75 HTT (0.54) BRD4ARKCNH2MAPTALDH1A1
SCHEMBL2266352 0.75 AR (0.55) BRD4ARKCNH2MAPTALDH1A1
SCHEMBL3061847 0.74 BRD4 (0.64) BRD4ARKCNH2HTTTDP1
SCHEMBL2268466 0.74 MAPT (0.53) L3MBTL1BRD4ARKCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP claimed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO claimed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 L3MBTL1 4752/4885BRD4 831/4885AR 1/4885

“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.