SCHEMBL2267106

SCHEMBL2267106

CN(C(=O)OC(C)(C)C)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALOX15 P16050 1/20 0.52
AAK1 Q2M2I8 2/20 0.51
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.50
XBP1 P17861 1/20 0.50
AR P10275 8/20 0.49
KCNH2 Q12809 6/20 0.49
BRD4 O60885 4/20 0.49
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DPP4 P27487 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL2266365 0.86 HTT (0.59) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2268416 0.80 HTT (0.59) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2263995 0.77 HTT (0.49) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2271068 0.77 HTT (0.49) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2266249 0.77 HTT (0.61) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2266128 0.77 HTT (0.71) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2264765 0.76 HTT (0.59) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2268214 0.76 HTT (0.51) HTTTDP1ALOX15MAPTHPGD
SCHEMBL2264186 0.76 HTT (0.50) HTTTDP1ALOX15MAPTHPGD
SCHEMBL22193581 0.76 KMT2A (0.55) HTTAAK1ALDH1A1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTT 3680/4885TDP1 3462/4885ALOX15 1895/4885

“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.