SCHEMBL5114008

SCHEMBL5114008

Fc1ccc(-c2cncc(N3CCN4CCC3C4)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.52
CHRNA3 P32297 4/20 0.52
CHRNA7 P36544 2/20 0.42
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB3 Q05901 1/20 0.40
USP30 Q70CQ3 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 1/20 0.38
TLR7 Q9NYK1 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
Hydrochloric Acid SCHEMBL5114428 0.99 CHRNB4 (0.51) CHRNB4CHRNA3CHRNA7DRD2DRD4
SCHEMBL5108520 0.92 CHRNB4 (0.50) CHRNB4CHRNA3CHRNA7DRD2DRD4
SCHEMBL5108370 0.91 CHRNB4 (0.56) CHRNB4CHRNA3CHRNA7DRD2DRD4
SCHEMBL5112661 0.90 CHRNB4 (0.40) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL5110315 0.88 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5114121 0.88 CHRNB4 (0.39) CHRNB4CHRNA3CHRNA7
SCHEMBL5108247 0.88 CHRNB4 (0.49) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1
SCHEMBL5108697 0.88 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5107938 0.87 CHRNB4 (0.47) CHRNB4CHRNA3CHRNA7DRD2DRD4
Hydrochloric Acid SCHEMBL5111010 0.87 CHRNB4 (0.39) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US claimed
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
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 CHRNB4 11/4885CHRNA3 14/4885CHRNA7 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.