SCHEMBL1172017

SCHEMBL1172017

CC(C)(C)OC(=O)N1CCc2cn(-c3ccc(Br)cc3)nc2CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.47
GRM1 Q13255 3/20 0.43
GRM5 P41594 2/20 0.43
GPR119 Q8TDV5 7/20 0.43
MAPT P10636 2/20 0.43
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
ESRRB O95718 1/20 0.41
ESR1 P03372 1/20 0.41
ESRRA P11474 1/20 0.41
ESRRG P62508 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RORC P51449 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL1171305 0.88 PDK2 (0.46) PDK2GRM1GRM5GPR119MAPT
SCHEMBL1171690 0.88 GPR119 (0.46) PDK2GRM1GRM5GPR119MAPT
SCHEMBL1171660 0.87 MAPT (0.45) PDK2GRM1GRM5GPR119MAPT
SCHEMBL1171664 0.87 GPR119 (0.46) PDK2GRM1GRM5GPR119MAPT
SCHEMBL1171423 0.87 GPR119 (0.54) PDK2GRM1GRM5GPR119MAPT
SCHEMBL1171162 0.86 GPR119 (0.47) PDK2GRM1GRM5GPR119MAPT
SCHEMBL1171293 0.86 GPR119 (0.59) PDK2GPR119
SCHEMBL1171255 0.85 PDK2 (0.44) PDK2GRM1GRM5GPR119MAPT
SCHEMBL1171672 0.85 GPR119 (0.48) PDK2GPR119JAK2JAK1
SCHEMBL1172005 0.84 PDK2 (0.43) PDK2GRM1GRM5GPR119MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888347-B2 e.g. 1-(Phenylmethyl)hexahydro-4H-azepin-4-one hydrochloride; neurological and psychiatric disorders; neurodegenerative diseases, cognitive impairments, antiinflammatory agent; Alzheimer's disease, epilepsy, neuritis and back pain, osteoarthritis, rheumatoid arthritis, migraine, Parkinson's disease GLAXO GROUP LIMITED (GB) 2011-02-15 US disclosed
EP-1899350-B1 PYRAZOLO [3 , 4-D]AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-05-12 EP disclosed
US-20080176832-A1 Pyrazolo [3,4-D]Azepine Derivatives as Histamine H3 Antagonists GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
EP-1899350-A1 PYRAZOLO Ý3 , 4-D¨AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-03-19 EP disclosed
WO-2007025596-A1 PYRAZOLO [3 , 4-D] AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-03-08 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-20080176832-A1 Pyrazolo [3,4-D]Azepine Derivatives as Histamine H3 Antagonists HRH3, HRH4, HRH2 PDK2 558/4885GRM1 67/4885GRM5 53/4885

“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.