SCHEMBL1171399

SCHEMBL1171399

O=C1CCCN1c1ccc(-n2cc3c(n2)CCN(Cc2ccccc2)CC3)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 1/20 0.39
P2RX7 Q99572 1/20 0.38
PARP1 P09874 1/20 0.37
ACHE P22303 4/20 0.37
KLKB1 P03952 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PDE10A Q9Y233 4/20 0.36
DRD2 P14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD4 P21917 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL1171179 0.88 P2RX7 (0.42) LMNAHTTP2RX7SMN1; SMN2DRD2
SCHEMBL1171167 0.81 HRH3 (0.46) CNR2PARP1PDE10AHRH1
Hydrochloric Acid SCHEMBL1171370 0.80 HRH3 (0.46) CNR2PARP1PDE10AHRH1
SCHEMBL1171334 0.79 HRH3 (0.51) CNR2PARP1PDE10AHRH1
SCHEMBL1171280 0.79 CNR2 (0.39) CNR2PARP1PDE10AALDH1A1
SCHEMBL1171336 0.78 CNR2 (0.36) CNR2PARP1KLKB1PDE10AHRH1
SCHEMBL1171216 0.75 HRH3 (0.43) CNR2MAPT
SCHEMBL1171449 0.74 MAPT (0.44) LMNAHTTADRA2AADRA2BDRD4
SCHEMBL1171427 0.73 ALDH1A1 (0.41) ALDH1A1
SCHEMBL1171969 0.73 L3MBTL1 (0.51) LMNASMN1; SMN2ALDH1A1MAPTL3MBTL1

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 LMNA 4829/4885HTT 241/4885CNR2 133/4885

“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.