SCHEMBL5117170

SCHEMBL5117170

c1ccc(-c2cnnc(N3CCN4CC3C4)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA5 P31644 4/20 0.42
GABRA3 P34903 4/20 0.42
GABRA1 P14867 3/20 0.42
USP30 Q70CQ3 4/20 0.37
CHRNA7 P36544 2/20 0.34
KCNH2 Q12809 2/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL5107916 0.91 GABRA1 (0.40) GABRG2GABRB3GABRA5GABRA3GABRA1
Hydrochloric Acid SCHEMBL5122255 0.89 GABRA1 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL5121998 0.88 GABRA1 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL5111531 0.85 GABRA1 (0.40) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL5114821 0.83 GABRA1 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL5123104 0.75 CHRNB4 (0.52) CHRNA7CHRNB4CHRNA3CYP11B1CYP11B2
SCHEMBL5121749 0.74 CHRNA7 (0.57) USP30CHRNA7CHRNB4CHRNA3NPC1
SCHEMBL5455218 0.69 HTT (0.56) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL5108382 0.67 PLD1 (0.43)
SCHEMBL5108247 0.67 CHRNB4 (0.49) USP30CHRNA7CHRNB4CHRNA3HRH3

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 5 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
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 GABRG2 477/4885GABRB3 131/4885GABRA5 257/4885

“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.