SCHEMBL2264037

SCHEMBL2264037

Fc1ccccc1CCN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.71
MAPT P10636 3/20 0.61
HPGD P15428 1/20 0.61
KCNH2 Q12809 6/20 0.61
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TP53 P04637 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 1/20 0.55
XBP1 P17861 1/20 0.55
ALOX15 P16050 1/20 0.55
BRD4 O60885 3/20 0.47
DPP4 P27487 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL2265292 0.89 AR (0.84) ARMAPTHPGDKCNH2HTT
SCHEMBL2268442 0.86 MAPT (0.69) ARMAPTHPGDKCNH2HTT
SCHEMBL2266410 0.85 AR (0.78) ARMAPTHPGDKCNH2HTT
SCHEMBL2264384 0.81 AR (0.74) ARMAPTHPGDKCNH2HTT
SCHEMBL2271259 0.80 AR (0.78) ARMAPTHPGDKCNH2HTT
SCHEMBL24094957 0.80 AR (0.68) ARMAPTHPGDKCNH2HTT
SCHEMBL2263243 0.80 AR (0.72) ARMAPTHPGDKCNH2HTT
SCHEMBL2268354 0.80 AR (0.72) ARMAPTHPGDKCNH2HTT
SCHEMBL12368189 0.79 AR (0.81) ARMAPTHPGDKCNH2HTT
SCHEMBL2265130 0.79 AR (0.74) ARMAPTHPGDKCNH2HTT

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 8 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
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
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 1/4885MAPT 2987/4885HPGD 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.