SCHEMBL5116552

SCHEMBL5116552

Clc1cccc(-c2ccc(N3CCN4CC3C4)nc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.56
EGLN1 Q9GZT9 1/20 0.46
CHRNA7 P36544 4/20 0.41
KCNH2 Q12809 4/20 0.41
MGLL Q99685 1/20 0.41
USP30 Q70CQ3 3/20 0.40
SLC6A7 Q99884 3/20 0.39
SLC6A3 Q01959 1/20 0.38
DYRK3 O43781 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PIM1 P11309 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 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
SCHEMBL5107167 0.91 CNR2 (0.53) CNR2EGLN1CHRNA7KCNH2MGLL
Hydrochloric Acid SCHEMBL5110738 0.90 CNR2 (0.52) CNR2EGLN1CHRNA7KCNH2MGLL
SCHEMBL5108603 0.89 CNR2 (0.51) CNR2EGLN1CHRNA7KCNH2MGLL
SCHEMBL5123021 0.86 CNR2 (0.53) CNR2EGLN1CHRNA7KCNH2MGLL
SCHEMBL5123098 0.86 CHRNA7 (0.42) CNR2CHRNA7KCNH2USP30
SCHEMBL5112357 0.85 CHRNA7 (0.43) CNR2EGLN1CHRNA7KCNH2MGLL
SCHEMBL5112996 0.84 CNR2 (0.51) CNR2EGLN1CHRNA7KCNH2MGLL
SCHEMBL5115818 0.81 HDAC8 (0.44) CNR2CHRNA7KCNH2MGLLSLC6A7
SCHEMBL5107967 0.79 CNR2 (0.40) CNR2CHRNA7KCNH2SMN1; SMN2NPC1
SCHEMBL5110533 0.78 CHRNA7 (0.41) CNR2CHRNA7KCNH2USP30

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 CNR2 42/4885EGLN1 4214/4885CHRNA7 13/4885

“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.