SCHEMBL5113312

SCHEMBL5113312

Clc1ccc(-c2ccc(N3CCN4CCCC3C4)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
KCNH2 Q12809 1/20 0.39
CNR2 P34972 4/20 0.39
EGLN1 Q9GZT9 1/20 0.37
USP30 Q70CQ3 2/20 0.35
DGAT1 O75907 1/20 0.35
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
MCHR1 Q99705 5/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDE4A P27815 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
KDM2B Q8NHM5 1/20 0.33

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
SCHEMBL5112083 0.92 KCNH2 (0.40) CHRNA7KCNH2CNR2EGLN1USP30
SCHEMBL5117442 0.92 CNR2 (0.40) CHRNA7KCNH2CNR2EGLN1USP30
Hydrochloric Acid SCHEMBL5113977 0.91 KCNH2 (0.40) CHRNA7KCNH2CNR2EGLN1USP30
SCHEMBL5116623 0.90 KCNH2 (0.39) CHRNA7KCNH2CNR2EGLN1DGAT1
SCHEMBL5122066 0.89 CNR2 (0.39) CHRNA7KCNH2CNR2HTR2A
SCHEMBL5112357 0.88 CHRNA7 (0.43) CHRNA7KCNH2CNR2EGLN1USP30
SCHEMBL5108603 0.87 CNR2 (0.51) CHRNA7KCNH2CNR2EGLN1USP30
SCHEMBL5111213 0.81 KCNH2 (0.41) CHRNA7KCNH2CNR2HTR2A
SCHEMBL5120930 0.81 KCNH2 (0.41) CHRNA7KCNH2CNR2HTR2A
SCHEMBL5112516 0.81 GRM5 (0.44) CHRNA7KCNH2USP30CHRNB2CHRNB4

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 CHRNA7 13/4885KCNH2 1656/4885CNR2 42/4885

“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.