SCHEMBL5120930

SCHEMBL5120930

Clc1ccc(N2CCN3CCCC2CCC3)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
HTR3A P46098 2/20 0.41
CHRNA7 P36544 1/20 0.41
CNR2 P34972 2/20 0.40
GPR119 Q8TDV5 1/20 0.37
DRD4 P21917 4/20 0.37
HTR1A P08908 3/20 0.37
HTR2A P28223 3/20 0.37
HTR7 P34969 3/20 0.37
DRD3 P35462 3/20 0.37
SLC6A4 P31645 2/20 0.37
PDE10A Q9Y233 1/20 0.37
DRD2 P14416 3/20 0.37
FFAR1 O14842 1/20 0.35
USP14 P54578 1/20 0.35
HTR2C P28335 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 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
SCHEMBL5110025 0.97 CHRNA7 (0.45) KCNH2HTR3ACHRNA7CNR2GPR119
SCHEMBL5122066 0.91 CNR2 (0.39) KCNH2HTR3ACHRNA7CNR2GPR119
SCHEMBL5117442 0.89 CNR2 (0.40) KCNH2HTR3ACHRNA7CNR2
SCHEMBL5116623 0.86 KCNH2 (0.39) KCNH2HTR3ACHRNA7CNR2
SCHEMBL5107967 0.83 CNR2 (0.40) KCNH2HTR3ACHRNA7CNR2GPR119
SCHEMBL5116195 0.82 HTR3A (0.41) KCNH2HTR3ACHRNA7PDE10A
SCHEMBL5111213 0.82 KCNH2 (0.41) KCNH2HTR3ACHRNA7CNR2GPR119
SCHEMBL5113312 0.81 CHRNA7 (0.39) KCNH2CHRNA7CNR2HTR2A
Hydrochloric Acid SCHEMBL5115238 0.81 CHRNA7 (0.40) KCNH2HTR3ACHRNA7CNR2GPR119
SCHEMBL5123021 0.81 CNR2 (0.53) KCNH2CHRNA7CNR2

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 KCNH2 1656/4885HTR3A 314/4885CHRNA7 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.