SCHEMBL5109486

SCHEMBL5109486

c1ccc(N2CCN3CCCC2C3)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
PLD1 Q13393 1/20 0.38
GRM1 Q13255 3/20 0.38
CHI3L1 P36222 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CRBN Q96SW2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL5107936 0.91 CHRNA7 (0.42) KDM4EPLD1GRM1CRBN
SCHEMBL5111451 0.91 CHRNA7 (0.42) KDM4EALDH1A1MAPTHTTPLD1
Hydrochloric Acid SCHEMBL5111349 0.89 CHRNA7 (0.44) KDM4EPLD1GRM1CRBN
SCHEMBL5111206 0.88 CHRNA7 (0.46) KDM4EALDH1A1MAPTHTTPLD1
SCHEMBL5108382 0.85 PLD1 (0.43) KDM4EPLD1GRM1CRBN
SCHEMBL5111132 0.79 KMT2A (0.39) KDM4E
SCHEMBL5109400 0.77 PDE10A (0.38) ALDH1A1
SCHEMBL5122066 0.77 CNR2 (0.39)
SCHEMBL5121619 0.74 CHRNA7 (0.39)
SCHEMBL5115597 0.73 ALOX5 (0.41) HRH3CRBN

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-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US claimed
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US disclosed
EP-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US disclosed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 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-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT KDM4E 1525/4885ALDH1A1 126/4885MAPT 319/4885

“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.