SCHEMBL1171364

SCHEMBL1171364

Cc1noc(-c2ccc(-n3cc4c(n3)CCN(C(=O)OC(C)(C)C)CC4)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.56
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TBK1 Q9UHD2 3/20 0.41
IKBKE Q14164 1/20 0.41
PDK2 Q15119 1/20 0.40
MAPT P10636 1/20 0.39
HDAC4 P56524 1/20 0.39
GRM5 P41594 2/20 0.37
GRM1 Q13255 2/20 0.37
USP30 Q70CQ3 1/20 0.37
SLC34A1 Q06495 1/20 0.37

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
SCHEMBL1172017 0.82 PDK2 (0.47) GPR119JAK2JAK1PDK2MAPT
SCHEMBL1171690 0.79 GPR119 (0.46) GPR119PDK2MAPTGRM5GRM1
SCHEMBL1171305 0.79 PDK2 (0.46) GPR119PDK2MAPTGRM5GRM1
SCHEMBL1171423 0.78 GPR119 (0.54) GPR119PDK2MAPTGRM5GRM1
SCHEMBL1171664 0.78 GPR119 (0.46) GPR119PDK2MAPTGRM5GRM1
SCHEMBL1172066 0.78 ACHE (0.39) GPR119PDK2MAPT
SCHEMBL1171162 0.77 GPR119 (0.47) GPR119JAK2JAK1PDK2MAPT
SCHEMBL1171293 0.77 GPR119 (0.59) GPR119PDK2
SCHEMBL5661929 0.77 GPR119 (0.54) GPR119JAK2JAK1TBK1IKBKE
SCHEMBL25574615 0.77 ESR2 (0.58) GPR119JAK2JAK1TBK1IKBKE

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 3 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

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 GPR119 391/4885JAK2 1128/4885JAK1 735/4885

“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.