SCHEMBL1421344

SCHEMBL1421344

CC(C)(C)OC(=O)N1CCN(CCCc2ccc(Br)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.55
DRD2 P14416 1/20 0.50
HRH1 P35367 2/20 0.49
HRH2 P25021 1/20 0.49
HTR2A P28223 2/20 0.48
OPRM1 P35372 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
HTR7 P34969 1/20 0.48
ESRRB O95718 1/20 0.48
ESR1 P03372 1/20 0.48
ESRRA P11474 1/20 0.48
ESRRG P62508 1/20 0.48
ACKR3 P25106 2/20 0.47
HTR1A P08908 1/20 0.47
DRD4 P21917 1/20 0.47
KMT2A Q03164 1/20 0.46
TLR8 Q9NR97 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46

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
SCHEMBL2379018 0.92 THRB (0.52) SIGMAR1HRH1HRH2HTR2AESRRB
SCHEMBL26099081 0.90 HRH1 (0.50) SIGMAR1DRD2HRH1HRH2HTR2A
SCHEMBL15997218 0.88 SIGMAR1 (0.55) SIGMAR1DRD2HRH1HTR2AOPRM1
SCHEMBL7971782 0.87 SIGMAR1 (0.69) SIGMAR1HRH1HTR2AOPRM1ADORA3
SCHEMBL31752794 0.86 SIGMAR1 (0.56) SIGMAR1DRD2HRH1HTR2AOPRM1
SCHEMBL31752806 0.85 DRD2 (0.54) SIGMAR1DRD2HRH1HTR2AOPRM1
SCHEMBL31752526 0.84 DRD2 (0.56) SIGMAR1DRD2HRH1HTR2AOPRM1
SCHEMBL1433245 0.84 POLB (0.58) ESRRBESR1ESRRAESRRGKMT2A
SCHEMBL15300688 0.84 HRH2 (0.69) DRD2HRH1HRH2
SCHEMBL5444031 0.83 KMT2A (0.46) HRH1HRH2ESRRBESR1ESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789673-A Pyrrolo pyrimidine derivative, preparation method thereof, pharmaceutical composition and application 河北康泰药业有限公司 2023-09-22 CN disclosed
EP-2778156-B1 Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states ASTRAZENECA AB (SE) 2016-11-30 EP disclosed
EP-2778156-A1 Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states AstraZeneca AB (Publ) (SE) 2014-09-17 EP disclosed
US-8273774-B2 Phenoxypyridinylamide compounds ASTRAZENECA AB (SE) 2012-09-25 US disclosed
EP-2297106-A1 PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES AstraZeneca AB (SE) 2011-03-23 EP disclosed
US-20100041638-A1 Chemical Compounds 293 ASTRAZENECA AB (SE) 2010-02-18 US disclosed
WO-2009144494-A1 PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES ASTRAZENECA AB (SE) 2009-12-03 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 (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-20100041638-A1 Chemical Compounds 293 PDE4B, PDE4A, PDE3B SIGMAR1 4117/4885DRD2 2561/4885HRH1 3060/4885

“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.