SCHEMBL5111957

SCHEMBL5111957

Clc1cccc(-c2cncc(N3CCN4CCCC3CCC4)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 2/20 0.36
GRM5 P41594 4/20 0.36
BACE1 P56817 1/20 0.35
CNR1 P21554 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL5114020 0.98 CHRNA7 (0.37) ALPLALPIALPGKMT2APDE4A
SCHEMBL5111242 0.93 ALPL (0.36) ALPLALPIALPGKMT2AGRM5
SCHEMBL5108406 0.86 CHRNB4 (0.44) PDE4A
SCHEMBL5123133 0.86 CHRNB4 (0.39) BACE1
SCHEMBL5116146 0.86 CHRNB4 (0.46)
SCHEMBL5109496 0.86 CHRNB4 (0.36) BACE1HRH3
Hydrochloric Acid SCHEMBL5115011 0.85 MAPK1 (0.37) BACE1HRH3
SCHEMBL5108171 0.84 CHRNB4 (0.42)
SCHEMBL5107874 0.84 CHRNB4 (0.44)
SCHEMBL5108601 0.83 CYP11B1 (0.43) KMT2ACNR1

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-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
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 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-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT ALPL 3545/4885ALPI 2058/4885ALPG 3889/4885

“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.