SCHEMBL1171371

SCHEMBL1171371

NC(=O)c1ccc(-n2cc3c(n2)CCN(C2CCCC2)CC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.44
L3MBTL3 Q96JM7 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
BCAT2 O15382 1/20 0.37
ACKR3 P25106 1/20 0.36
PDK2 Q15119 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
TP53BP1 Q12888 1/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL1171432 0.98 HRH3 (0.47) HRH3L3MBTL3L3MBTL1BCAT2PDK2
SCHEMBL1171443 0.85 HRH3 (0.53) HRH3L3MBTL3L3MBTL1ACKR3PDK2
SCHEMBL1171295 0.85 HRH3 (0.45) HRH3ACKR3PDK2
SCHEMBL1171224 0.83 HRH3 (0.55) HRH3L3MBTL3L3MBTL1ACKR3PDK2
SCHEMBL1171413 0.83 HRH3 (0.45) HRH3PDK2
SCHEMBL13356084 0.79 HRH3 (0.36) HRH3L3MBTL3L3MBTL1PDK2
SCHEMBL1171271 0.79 L3MBTL3 (0.46) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1171155 0.79 HRH3 (0.36) HRH3L3MBTL3L3MBTL1PDK2
SCHEMBL1171258 0.79 HRH3 (0.51) HRH3
SCHEMBL1171259 0.79 HRH3 (0.45) HRH3L3MBTL3L3MBTL1MBTD1

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
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
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
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 1/4885L3MBTL3 3866/4885L3MBTL1 4253/4885

“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.