SCHEMBL1171124

SCHEMBL1171124

CN1CCN(c2ccc(-n3cc4c(n3)CCN(C(=O)OC(C)(C)C)CC4)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
MAPT P10636 2/20 0.41
NR1H2 P55055 1/20 0.40
GRM1 Q13255 3/20 0.39
GRM5 P41594 2/20 0.39
GPR119 Q8TDV5 8/20 0.39
ESR2 Q92731 1/20 0.39
ROCK2 O75116 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
USP30 Q70CQ3 1/20 0.35
SLC34A1 Q06495 1/20 0.35
POLB P06746 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
SCHEMBL1172005 0.85 PDK2 (0.43) PDK2MAPTNR1H2GRM1GRM5
SCHEMBL1170641 0.83 PDK2 (0.42) PDK2MAPTNR1H2GRM1GRM5
SCHEMBL1172017 0.83 PDK2 (0.47) PDK2MAPTNR1H2GRM1GRM5
SCHEMBL1171305 0.82 PDK2 (0.46) PDK2MAPTNR1H2GRM1GRM5
SCHEMBL1171690 0.82 GPR119 (0.46) PDK2MAPTNR1H2GRM1GRM5
SCHEMBL1171423 0.81 GPR119 (0.54) PDK2MAPTNR1H2GRM1GRM5
SCHEMBL1171664 0.81 GPR119 (0.46) PDK2MAPTNR1H2GRM1GRM5
SCHEMBL1171293 0.81 GPR119 (0.59) PDK2GPR119
SCHEMBL1171162 0.81 GPR119 (0.47) PDK2MAPTNR1H2GRM1GRM5
SCHEMBL1171255 0.80 PDK2 (0.44) PDK2MAPTGRM1GRM5GPR119

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 3 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 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 PDK2 558/4885MAPT 463/4885NR1H2 2080/4885

“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.