SCHEMBL1171397

SCHEMBL1171397

CC(C)N1CCc2cn(-c3ccc(N4CCOC4=O)cc3)nc2CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.43
TNKS O95271 1/20 0.36
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA1 P78396 3/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
PDK2 Q15119 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MMP12 P39900 3/20 0.33
MMP13 P45452 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL12867831 0.88 OGA (0.38) OGACCNCCDK8HRH3PIK3CA
SCHEMBL1171369 0.86 OGA (0.38) OGATNKSCCNCCDK8CCNA2
SCHEMBL1171668 0.81 ALDH1A1 (0.41) OGALRRK2HRH3
SCHEMBL1171615 0.81 OGA (0.38) OGACCNA2CDK2CCNA1PDK2
SCHEMBL1171359 0.80 TNKS (0.38) OGATNKSCCNCCDK8CCNA2
SCHEMBL1171388 0.80 TNKS (0.33) OGATNKSCCNCCDK8PDK2
SCHEMBL1171386 0.80 HRH3 (0.52) OGATNKSCCNA2CDK2CCNA1
SCHEMBL1171447 0.80 HRH3 (0.50) OGATNKSCCNA2CDK2CCNA1
SCHEMBL1170641 0.78 PDK2 (0.42) PDK2
SCHEMBL1171954 0.75 OGA (0.41) OGAPDK2HRH3

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 11 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
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 OGA 4809/4885TNKS 2391/4885CCNC 3360/4885

“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.