SCHEMBL2267097

SCHEMBL2267097

O=C(CN1CCOCC1)Nc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
NPC1 O15118 1/20 0.55
USP2 O75604 1/20 0.55
BRD4 O60885 4/20 0.54
AR P10275 3/20 0.54
KCNH2 Q12809 3/20 0.54
ATM Q13315 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL2264304 0.90 AR (0.60) ALOX15ALDH1A1HPGDNPC1USP2
SCHEMBL2268840 0.86 AR (0.57) ALOX15ALDH1A1HPGDBRD4AR
SCHEMBL2269799 0.83 AR (0.56) ALOX15ALDH1A1HPGDBRD4AR
SCHEMBL2266944 0.82 BRD4 (0.57) ALOX15ALDH1A1HPGDBRD4AR
SCHEMBL12368343 0.81 BRD4 (0.58) ALOX15ALDH1A1HPGDBRD4AR
SCHEMBL2265784 0.79 BRD4 (0.57) ALOX15ALDH1A1HPGDBRD4AR
SCHEMBL2262571 0.77 AR (0.60) ALOX15ALDH1A1HPGDBRD4AR
SCHEMBL748865 0.77 HTT (0.62) ALOX15ALDH1A1HPGDBRD4AR
SCHEMBL2266272 0.76 AR (0.50) ALOX15ALDH1A1HPGDBRD4AR
SCHEMBL2264747 0.76 BRD4 (0.61) ALOX15ALDH1A1HPGDBRD4AR

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 ALOX15 1895/4885ALDH1A1 806/4885HPGD 438/4885

“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.