SCHEMBL2266830

SCHEMBL2266830

FC(F)c1ccccc1CN1CCN(c2ccc3nnc(C(F)F)n3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.51
DPP4 P27487 3/20 0.45
KCNH2 Q12809 2/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PIM1 P11309 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2263083 0.86 AR (0.49) ARDPP4KCNH2MAPTHPGD
SCHEMBL12368135 0.85 DPP4 (0.61) ARDPP4KCNH2MAPTHPGD
SCHEMBL2268837 0.84 AR (0.58) ARDPP4KCNH2MAPTHPGD
SCHEMBL2272262 0.81 DPP4 (0.57) ARDPP4KCNH2MAPTHPGD
SCHEMBL12368138 0.80 DPP4 (0.42) ARDPP4KCNH2MAPTHPGD
SCHEMBL2263234 0.80 AR (0.56) ARDPP4KCNH2MAPTHPGD
SCHEMBL2266492 0.78 DPP4 (0.53) ARDPP4KCNH2MAPTHPGD
SCHEMBL12368422 0.78 DPP4 (0.56) ARDPP4KCNH2MAPTHPGD
SCHEMBL2271276 0.78 DPP4 (0.42) ARDPP4KCNH2MAPTHPGD
SCHEMBL2262913 0.75 AR (0.52) ARDPP4KCNH2MAPTHPGD

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 7 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
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US 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
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US 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 AR 1/4885DPP4 4092/4885KCNH2 4406/4885

“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.