SCHEMBL748867

SCHEMBL748867

CC(C)(C)OC(=O)N1CCN(CCOc2ccc(C3CCNCC3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
GPR119 Q8TDV5 6/20 0.48
GPR4 P46093 1/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 2/20 0.46
AR P10275 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3061663 0.95 EPHX2 (0.54) EPHX2GPR119HRH2HRH1ALDH1A1
SCHEMBL750227 0.82 PRMT5 (0.42) GPR119HRH2HRH1
SCHEMBL14453585 0.81 KCNA5 (0.62) EPHX2GPR4HRH2HRH1DRD3
SCHEMBL20423457 0.81 DRD3 (0.55) EPHX2GPR119GPR4HRH2HRH1
SCHEMBL19479118 0.81 DRD3 (0.70) HRH2HRH1DRD3ALDH1A1
SCHEMBL3080285 0.81 MCHR1 (0.57) EPHX2HRH2HRH1DRD3AR
SCHEMBL23301374 0.80 DRD3 (0.54) EPHX2GPR119GPR4HRH2HRH1
SCHEMBL14453658 0.80 DRD3 (0.54) EPHX2GPR119GPR4HRH2HRH1
SCHEMBL6034847 0.80 HRH2 (0.61) EPHX2GPR119GPR4HRH2HRH1
SCHEMBL1730771 0.80 HRH2 (0.58) EPHX2GPR119GPR4HRH2HRH1

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 11 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
CN-102482280-A [1,2,4] triazolo [4,3-b ] pyridazines as ligands for androgen receptors ASTRAZENECA AB 2012-05-30 CN disclosed
EP-2430024-A1 [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR AstraZeneca AB (SE) 2012-03-21 EP disclosed
CN-102388048-A Triazolo [4,3-b] pyridazine derivatives and their uses for prostate cancer ASTRAZENECA AB 2012-03-21 CN disclosed
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 US 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 (3 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 EPHX2 1641/4885DDB1 3983/4885CRBN 733/4885
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA EPHX2 2749/4885DDB1 4329/4885CRBN 1219/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA EPHX2 2573/4885DDB1 4202/4885CRBN 1355/4885

“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.