SCHEMBL2850833

SCHEMBL2850833

CC(C)(C)OC(=O)N1CCN(CCc2ccc(O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
VEGFA P15692 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
SIGMAR1 Q99720 4/20 0.46
ESR2 Q92731 1/20 0.46
ACKR3 P25106 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TERT O14746 1/20 0.43

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
SCHEMBL31245960 0.88 KDM4E (0.46) GPR119ALDH1A1
SCHEMBL22800905 0.88 SIGMAR1 (0.48) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL3708001 0.88 HTR2A (0.52) KDM1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL2379018 0.88 THRB (0.52) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL4572803 0.88 SIGMAR1 (0.48) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL3712707 0.88 MEN1 (0.59) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL4156092 0.86 VEGFA (0.58) KDM1AVEGFAEGLN1CHRM2CHRM4
SCHEMBL23303996 0.86 CHRM2 (0.46) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL4832556 0.85 GPR119 (0.57) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL28400351 0.85 HDAC1 (0.51) SIGMAR1MEN1KMT2AKCNH2ALDH1A1

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
US-20170183353-A1 N-HYDROXY BICYCLIC HYDANTOIN CARBAMATES AS TOOLS FOR INDETIFICATION OF SERINE HYDROLASE TARGETS H. LUNDBECK A/S (DK) 2017-06-29 US disclosed
EP-2027108-B1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LTD (GB) 2010-01-13 EP disclosed
US-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core GLAXO GROUP LIMITED (GB) 2009-07-16 US disclosed
US-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core GLAXO GROUP LIMITED (GB) 2009-07-16 US disclosed
US-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core GLAXO GROUP LIMITED (GB) 2009-07-16 US disclosed
EP-2027108-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE Glaxo Group Limited (GB) 2009-02-25 EP disclosed
WO-2007135081-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LIMITED (GB) 2007-11-29 WO disclosed
WO-2007135081-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LIMITED (GB) 2007-11-29 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-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core HRH2, HRH1, HRH4 KDM1A 687/4885VEGFA 4773/4885EGLN1 714/4885
US-20170183353-A1 N-HYDROXY BICYCLIC HYDANTOIN CARBAMATES AS TOOLS FOR INDETIFICATION OF SERINE HYDROLASE TARGETS HPN, BCHE, PRSS1 KDM1A 1303/4885VEGFA 4880/4885EGLN1 10/4885

“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.