SCHEMBL3473287

SCHEMBL3473287

CC(=O)N1CCN([C@@H](C)COc2ccc(C3(O)CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.75
KCNH2 Q12809 6/20 0.58
BRD4 O60885 5/20 0.55
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40
XBP1 P17861 1/20 0.40
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
DPP4 P27487 1/20 0.39
DRD3 P35462 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
SCHEMBL3473971 1.00 AR (0.75) ARKCNH2BRD4HTTTDP1
SCHEMBL748810 1.00 AR (0.75) ARKCNH2BRD4HTTTDP1
SCHEMBL3475748 0.97 AR (0.71) ARKCNH2BRD4HTTTDP1
SCHEMBL748953 0.97 AR (0.71) ARKCNH2BRD4HTTTDP1
SCHEMBL13030810 0.97 AR (0.71) ARKCNH2BRD4HTTTDP1
SCHEMBL13065411 0.88 AR (0.59) ARKCNH2BRD4RXFP1DPP4
SCHEMBL13065413 0.88 AR (0.59) ARKCNH2BRD4RXFP1DPP4
SCHEMBL752809 0.86 AR (1.00) ARKCNH2BRD4HTTTDP1
SCHEMBL750071 0.84 AR (0.73) ARKCNH2BRD4HTTTDP1
SCHEMBL2263138 0.81 AR (0.70) ARKCNH2BRD4HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 US 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-20100292222-A1 CHEMICAL COMPOUNDS 751 AR, NR5A1, KLK3 AR 1/4885KCNH2 1951/4885BRD4 635/4885

“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.