SCHEMBL1171392

SCHEMBL1171392

Cc1noc(-c2ccc(-n3cc4c(n3)CCN(C3CCC3)CC4)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
OPRK1 P41145 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 2/20 0.34
P2RX3 P56373 2/20 0.34
MAPT P10636 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
HTT P42858 1/20 0.33
USP7 Q93009 1/20 0.33
CYP2D6 P10635 1/20 0.33
TLR4 O00206 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL1172018 0.98 ACHE (0.37) ACHEOPRK1HRH3LMNATHRB
SCHEMBL1172066 0.82 ACHE (0.39) ACHELMNATHRBGPR119TP53
SCHEMBL1171253 0.80 ACHE (0.37) ACHEHRH3LMNATHRBGPR119
SCHEMBL1171396 0.80 ACHE (0.37) ACHELMNATHRBGPR119TP53
SCHEMBL13356084 0.79 HRH3 (0.36) HRH3CYP2D6
SCHEMBL1171155 0.79 HRH3 (0.36) HRH3CYP2D6
SCHEMBL1171257 0.78 ACHE (0.42) ACHELMNATHRBGPR119TP53
SCHEMBL1172033 0.77 L3MBTL3 (0.41) OPRK1HRH3POLBTP53MAPT
SCHEMBL4791331 0.77 ACHE (0.40) ACHELMNATHRBGPR119TP53
SCHEMBL1171271 0.77 L3MBTL3 (0.46) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 ACHE 157/4885OPRK1 78/4885HRH3 1/4885

“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.