SCHEMBL3061663

SCHEMBL3061663

CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(C3CCNCC3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
HRH2 P25021 9/20 0.52
HRH1 P35367 9/20 0.52
GPR119 Q8TDV5 4/20 0.49
HRH3 Q9Y5N1 3/20 0.49
KCNH2 Q12809 2/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL748867 0.95 EPHX2 (0.49) EPHX2HRH2HRH1GPR119ALDH1A1
SCHEMBL3080285 0.86 MCHR1 (0.57) EPHX2HRH2HRH1HRH3KCNH2
SCHEMBL30493377 0.82 HRH2 (0.54) EPHX2HRH2HRH1HRH3ALDH1A1
SCHEMBL7245807 0.81 HRH2 (0.71) EPHX2HRH2HRH1GPR119HRH3
SCHEMBL15300688 0.80 HRH2 (0.69) EPHX2HRH2HRH1HRH3
SCHEMBL18910879 0.80 EPHX2 (0.59) EPHX2HRH2HRH1HRH3
SCHEMBL31583945 0.80 EPHX2 (0.59) EPHX2HRH2HRH1HRH3
SCHEMBL25933903 0.80 HRH3 (0.66) HRH2HRH1HRH3KCNH2CYP3A4
SCHEMBL17485809 0.79 GPR119 (0.58) GPR119ALDH1A1
SCHEMBL1714805 0.79 HRH2 (0.68) EPHX2HRH2HRH1GPR119HRH3

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
EP-4466260-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2024-11-27 EP disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed
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
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 US disclosed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 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 (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 EPHX2 2749/4885HRH2 2375/4885HRH1 2585/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA EPHX2 2573/4885HRH2 2198/4885HRH1 2410/4885

“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.