SCHEMBL5116623

SCHEMBL5116623

Clc1ccc(-c2ccc(N3CCN4CCCC3CC4)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
CHRNA7 P36544 4/20 0.39
HTR3A P46098 2/20 0.39
CNR2 P34972 2/20 0.39
EGLN1 Q9GZT9 1/20 0.37
PDE4A P27815 2/20 0.35
DGAT1 O75907 1/20 0.35
ADK P55263 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
SCHEMBL5117442 0.97 CNR2 (0.40) KCNH2CHRNA7HTR3ACNR2EGLN1
SCHEMBL5113312 0.90 CHRNA7 (0.39) KCNH2CHRNA7CNR2EGLN1PDE4A
SCHEMBL5110025 0.89 CHRNA7 (0.45) KCNH2CHRNA7HTR3ACNR2
SCHEMBL5112996 0.87 CNR2 (0.51) KCNH2CHRNA7HTR3ACNR2EGLN1
SCHEMBL5112083 0.87 KCNH2 (0.40) KCNH2CHRNA7HTR3ACNR2EGLN1
SCHEMBL5120930 0.86 KCNH2 (0.41) KCNH2CHRNA7HTR3ACNR2
Hydrochloric Acid SCHEMBL5113977 0.86 KCNH2 (0.40) KCNH2CHRNA7HTR3ACNR2EGLN1
SCHEMBL5123021 0.84 CNR2 (0.53) KCNH2CHRNA7CNR2EGLN1PDE4A
SCHEMBL5112357 0.82 CHRNA7 (0.43) KCNH2CHRNA7CNR2EGLN1PDE4A
SCHEMBL5113901 0.81 HTR3A (0.41) KCNH2CHRNA7HTR3APDE4A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US claimed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 WO claimed
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US disclosed
EP-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US disclosed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 WO 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 1656/4885CHRNA7 13/4885HTR3A 314/4885

“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.