SCHEMBL5111242

SCHEMBL5111242

Clc1cccc(-c2cncc(N3CCN4CCCC3C4)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 3/20 0.36
ADAMTS5 Q9UNA0 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
PIM1 P11309 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL5109496 0.93 CHRNB4 (0.36) ADAMTS5CHRNB4CHRNA3TP53
SCHEMBL5111957 0.93 ALPL (0.38) ALPLALPIALPGKMT2AGRM5
Hydrochloric Acid SCHEMBL5115011 0.92 MAPK1 (0.37) ADAMTS5CHRNB4CHRNA3
SCHEMBL5114020 0.91 CHRNA7 (0.37) ALPLALPIALPGKMT2AGRM5
SCHEMBL5123133 0.89 CHRNB4 (0.39) ADAMTS5CHRNB4CHRNA3TP53
SCHEMBL5114623 0.87 CHRNB4 (0.42) CHRNB4CHRNA3
SCHEMBL5110318 0.87 CHRNB4 (0.47) CHRNB4CHRNA3
SCHEMBL5115342 0.84 CYP11B1 (0.41) GRM5CHRNB4CHRNA3
SCHEMBL5110755 0.84 CYP11B1 (0.41) KMT2AMAPTKDM2B
SCHEMBL5121599 0.83 CHRNB2 (0.46) KMT2ACHRNB4CHRNA3NPC1RAB9A

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.