SCHEMBL749505

SCHEMBL749505

CC(C)(C)OC(=O)N1CCN(CCOc2ccc(C3=CCN(C(=O)OCc4ccccc4)CC3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.47
▸ PPARA Q07869 3/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ S1PR3 Q99500 1/20 0.47
▸ HRH2 P25021 2/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ KCNA5 P22460 1/20 0.45
▸ LNPEP Q9UIQ6 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TNK2 Q07912 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ BTK Q06187 1/20 0.44

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
SCHEMBL750227 0.90 PRMT5 (0.42) PPARGPPARANAMPTS1PR1S1PR3
SCHEMBL3075608 0.89 S1PR1 (0.51) PPARGPPARAS1PR1S1PR3HRH2
SCHEMBL8195218 0.85 NAMPT (0.57) NAMPTTNK2BTKGRM5GRM1
SCHEMBL3068061 0.85 HRH2 (0.52) S1PR1S1PR3HRH2HRH1ADORA3
SCHEMBL30366420 0.84 NAMPT (0.52) NAMPTHRH2HRH1LNPEPHTR2A
SCHEMBL20423428 0.83 HTT (0.63) HRH2HRH1LTA4HKCNA5HTT
SCHEMBL23249954 0.82 NAMPT (0.50) PPARGPPARANAMPTS1PR1S1PR3
SCHEMBL31476781 0.81 LNPEP (0.50) PPARGPPARANAMPTLNPEPTNK2
SCHEMBL5455714 0.81 NAMPT (0.53) NAMPTHRH2HRH1LNPEPSIGMAR1
SCHEMBL21528055 0.80 MEN1 (0.51) HRH2HRH1HTTADORA3HTR2A

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 10 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
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 PPARG 503/4885PPARA 723/4885NAMPT 2138/4885
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA PPARG 211/4885PPARA 310/4885NAMPT 2597/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA PPARG 149/4885PPARA 243/4885NAMPT 3063/4885

“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.

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