SCHEMBL5122228

SCHEMBL5122228

c1ccc2ncc(N3CCN4CC3C4)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.51
CHRNA7 P36544 2/20 0.51
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
DHFR P00374 1/20 0.44
CNR2 P34972 5/20 0.43
AKR1C3 P42330 1/20 0.42
CNR1 P21554 2/20 0.41
HDAC1 Q13547 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL5107855 0.90 CHRNA7 (0.57) HTR3ACHRNA7CHRNB2CHRNA4CYP11B1
Hydrochloric Acid SCHEMBL5122590 0.89 CHRNA7 (0.60) HTR3ACHRNA7CHRNB2CHRNA4CYP11B1
SCHEMBL5108483 0.88 CHRNA7 (0.49) HTR3ACHRNA7CHRNB2CHRNA4CYP11B1
SCHEMBL6543734 0.87 CHRNA7 (0.67) HTR3ACHRNA7CHRNB2CHRNA4CYP11B1
SCHEMBL5115976 0.85 CHRNA7 (0.57) HTR3ACHRNA7CHRNB2CHRNA4CYP11B1
SCHEMBL5115004 0.82 CHRNA7 (0.62) HTR3ACHRNA7CHRNB2CHRNA4CYP11B1
SCHEMBL5370480 0.73 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL5041622 0.73 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL5036781 0.70 MGAM (0.43) HTR3ACHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL8147076 0.70 CHRNB2 (0.73) HTR3ACHRNB2CHRNA4CYP11B1CYP11B2

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 HTR3A 314/4885CHRNA7 13/4885CHRNB2 10/4885

“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.