SCHEMBL3075158

SCHEMBL3075158

CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(N3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.61
KCNH2 Q12809 1/20 0.47
EPHX2 P34913 2/20 0.43
HRH1 P35367 5/20 0.42
HRH2 P25021 4/20 0.42
HRH3 Q9Y5N1 6/20 0.42
TLR9 Q9NR96 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
HTR2A P28223 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3071239 0.96 AR (0.67) ARKCNH2EPHX2TLR9TLR7
SCHEMBL3061952 0.91 AR (0.73) ARKCNH2HRH1HRH3HTR2A
SCHEMBL3068556 0.89 AR (0.78) ARKCNH2EPHX2HRH1HRH2
SCHEMBL3081238 0.88 AR (0.60) ARKCNH2HRH1HRH2HRH3
SCHEMBL3069850 0.87 AR (0.79) ARKCNH2HRH3HTR2ADRD2
SCHEMBL3711734 0.87 AR (0.56) ARKCNH2HRH1HRH2HRH3
SCHEMBL3078457 0.85 AR (0.84) ARKCNH2EPHX2HRH1HRH2
SCHEMBL3071316 0.85 AR (0.56) ARKCNH2HRH1HRH2HRH3
SCHEMBL3071506 0.84 AR (0.64) ARKCNH2HRH1HRH2HRH3
SCHEMBL3077069 0.83 AR (0.53) ARKCNH2HRH1HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D (SE) 2013-08-08 US disclosed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 EP disclosed
US-8258140-B2 Chemical compounds—643 ASTRAZENECA AB (SE) 2012-09-04 US disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 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 (2 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-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 2070/4885EPHX2 2749/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885EPHX2 2573/4885

“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.