SCHEMBL2264028

SCHEMBL2264028

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
KCNH2 Q12809 1/20 0.46
DPP4 P27487 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MET P08581 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
PIM1 P11309 2/20 0.36
OGA O60502 3/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 1/20 0.35
XBP1 P17861 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PANK3 Q9H999 1/20 0.35

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 0.87 HSD17B10 (0.49) ARKCNH2DPP4KDM4EMAPT
SCHEMBL2269775 0.86 HPGD (0.47) DPP4KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2267316 0.84 AR (0.66) ARKCNH2MAPTHTTHPGD
SCHEMBL12393210 0.84 AR (0.48) ARKCNH2DPP4KDM4EPARP1
SCHEMBL2265175 0.74 DPP4 (0.62) DPP4KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2269653 0.73 ALOX15 (0.46) KDM4EMAPTHTTSMN1; SMN2HPGD
SCHEMBL2268936 0.71 AR (0.63) ARKCNH2KDM4EMAPTHTT
SCHEMBL2263234 0.70 AR (0.56) ARKCNH2DPP4KDM4EMAPT
SCHEMBL2266924 0.70 MAPT (0.50) DPP4KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2264800 0.70 HTT (0.58) ARKCNH2DPP4KDM4EMAPT

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 5 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-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 1/4885KCNH2 4406/4885DPP4 4092/4885

“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.