SCHEMBL1171336

SCHEMBL1171336

O=C1CCCN1c1ccc(-n2cc3c(n2)CCN(C2=CC=C2)CC3)cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
PARP1 P09874 1/20 0.34
AKR1C3 P42330 3/20 0.33
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH1 P35367 1/20 0.32
HPGDS O60760 1/20 0.31
AR P10275 1/20 0.31
PDE10A Q9Y233 3/20 0.31
MCHR1 Q99705 1/20 0.31
HTR6 P50406 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KLKB1 P03952 1/20 0.30

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
SCHEMBL1172027 0.87 ALDH1A1 (0.39) AKR1C3MEN1TSHRKMT2AALDH1A1
SCHEMBL1171167 0.82 HRH3 (0.46) CNR2HRH3PARP1AKR1C3HRH1
Hydrochloric Acid SCHEMBL1171370 0.82 HRH3 (0.46) CNR2HRH3PARP1AKR1C3HRH1
SCHEMBL1171334 0.81 HRH3 (0.51) CNR2HRH3PARP1AKR1C3HRH1
SCHEMBL1171280 0.80 CNR2 (0.39) CNR2HRH3PARP1AKR1C3MEN1
SCHEMBL1171399 0.78 LMNA (0.40) CNR2PARP1HRH1PDE10AMCHR1
SCHEMBL1171216 0.76 HRH3 (0.43) CNR2HRH3
SCHEMBL1171273 0.76 PDK2 (0.33) MEN1KMT2AALDH1A1
SCHEMBL1171285 0.75 ALDH1A1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL1171260 0.73 OGA (0.39) ALDH1A1

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 5 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
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 CNR2 133/4885HRH3 1/4885PARP1 2503/4885

“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.