SCHEMBL1171396

SCHEMBL1171396

Cc1noc(-c2ccc(-n3cc4c(n3)CCN(C3=CC=C3)CC4)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
P2RX3 P56373 2/20 0.30
S1PR1 P21453 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
SCHEMBL1172066 0.82 ACHE (0.39) ACHELMNATHRBTP53MAPT
SCHEMBL1171253 0.80 ACHE (0.37) ACHELMNATHRBTP53MAPT
SCHEMBL1171392 0.80 ACHE (0.37) ACHELMNATHRBTP53MAPT
SCHEMBL1172018 0.80 ACHE (0.37) ACHELMNATHRBTP53MAPT
SCHEMBL1171158 0.79 PDK2 (0.33)
SCHEMBL1171257 0.78 ACHE (0.42) ACHELMNATHRBTP53MAPT
SCHEMBL1171273 0.77 PDK2 (0.33) LMNATHRBTP53MAPT
SCHEMBL1171364 0.76 GPR119 (0.56) MAPTGPR119
SCHEMBL1171285 0.76 ALDH1A1 (0.34) LMNATHRBTP53MAPT
SCHEMBL4791331 0.74 ACHE (0.40) ACHELMNATHRBTP53MAPT

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 4 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
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 ACHE 157/4885LMNA 4829/4885THRB 986/4885

“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.