SCHEMBL2269775

SCHEMBL2269775

C[C@H](c1ccc(Br)cc1)N1CCN(c2ccc3nnc(C(F)F)n3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
OGA O60502 5/20 0.41
DPP4 P27487 1/20 0.41
APAF1 O14727 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIM1 P11309 2/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL2265755 0.90 HSD17B10 (0.49) HPGDKDM4EHSD17B10OGADPP4
SCHEMBL2264028 0.86 AR (0.46) HPGDKDM4EHSD17B10OGADPP4
SCHEMBL2264800 0.83 HTT (0.58) HPGDKDM4EHSD17B10OGADPP4
SCHEMBL2265175 0.77 DPP4 (0.62) HPGDKDM4EHSD17B10DPP4MAPT
SCHEMBL2268936 0.73 AR (0.63) HPGDKDM4EHSD17B10OGAAPAF1
SCHEMBL2269653 0.73 ALOX15 (0.46) HPGDKDM4EHSD17B10MAPTHTT
SCHEMBL2263234 0.73 AR (0.56) HPGDKDM4EHSD17B10DPP4MAPT
SCHEMBL2266924 0.72 MAPT (0.50) HPGDKDM4EHSD17B10DPP4MAPT
SCHEMBL2264031 0.72 MAPT (0.69) HPGDKDM4EHSD17B10DPP4MAPT
SCHEMBL2266363 0.70 MAPT (0.57) HPGDKDM4EHSD17B10DPP4MAPT

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 HPGD 438/4885KDM4E 3067/4885HSD17B10 178/4885

“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.