SCHEMBL5114425

SCHEMBL5114425

COc1cccc(-c2cncc(N3CCN4CCCC3CC4)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CHRNB1 P11230 5/20 0.41
CHRNB2 P17787 5/20 0.41
CHRNB4 P30926 5/20 0.41
CHRNA3 P32297 5/20 0.41
CHRNB3 Q05901 5/20 0.41
HRH3 Q9Y5N1 2/20 0.41
BACE1 P56817 2/20 0.39
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
SRC P12931 2/20 0.38
ABL2 P42684 2/20 0.38

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
SCHEMBL5112790 0.98 CYP11B1 (0.43) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL5115342 0.92 CYP11B1 (0.41) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL5108588 0.89 CHRNB2 (0.43) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL5123799 0.88 CHRNB2 (0.43) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL5114002 0.88 CHRNB2 (0.47) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL5109794 0.85 CYP11B1 (0.45) CYP11B1CYP11B2CHRNB2CHRNB4CHRNA3
SCHEMBL5117175 0.85 CHRNB2 (0.49) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL5110310 0.85 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3
SCHEMBL5107874 0.84 CHRNB4 (0.44) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL5114020 0.84 CHRNA7 (0.37) HRH3

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 CYP11B1 273/4885CYP11B2 403/4885CHRNB1 20/4885

“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.