SCHEMBL1171394

SCHEMBL1171394

CC(C)CN1CCc2cn(-c3ccc(C#N)cc3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
NOTUM Q6P988 1/20 0.38
SLC6A9 P48067 1/20 0.37
MAPT P10636 1/20 0.36
PRMT5 O14744 4/20 0.36
WDR77 Q9BQA1 4/20 0.36
GRM5 P41594 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
OGA O60502 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL1171137 0.84 HRH3 (0.41) HRH3NOTUMSLC6A9MAPKAPK2OGA
SCHEMBL1171341 0.79 PRMT5 (0.40) MAPTPRMT5WDR77MAPKAPK2DRD2
SCHEMBL1171244 0.78 ALDH1A1 (0.39) HRH3
SCHEMBL1171407 0.77 KCNH2 (0.38) HRH3MAPTDRD2OGAS1PR1
SCHEMBL1171957 0.77 HDAC1 (0.36) HRH3MAPTPRMT5WDR77DRD2
SCHEMBL1171279 0.77 GCGR (0.41) HRH3PRMT5WDR77
SCHEMBL1171369 0.77 OGA (0.38) HRH3MAPTOGA
SCHEMBL1171253 0.75 ACHE (0.37) HRH3MAPTOGA
SCHEMBL1171220 0.75 NOTUM (0.36) NOTUMSLC6A9MAPKAPK2
SCHEMBL1171219 0.75 HRH3 (0.42) HRH3NOTUM

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 9 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 claimed
EP-1899350-B1 PYRAZOLO [3 , 4-D]AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-05-12 EP claimed
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
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
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
US-20080176832-A1 Pyrazolo [3,4-D]Azepine Derivatives as Histamine H3 Antagonists GLAXO GROUP LIMITED (GB) 2008-07-24 US 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 HRH3 1/4885NOTUM 3232/4885SLC6A9 2701/4885

“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.