SCHEMBL5111531

SCHEMBL5111531

c1ccc(-c2cnnc(N3CCN4CCCC3CCC4)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
USP30 Q70CQ3 2/20 0.35
IL4I1 Q96RQ9 2/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
HTR6 P50406 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5114821 0.97 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5121998 0.92 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5117170 0.85 GABRG2 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5107916 0.84 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL5122255 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5109973 0.76 CHRNA7 (0.50) USP30CHRNB4CHRNA3CHRNA7HTR3A
SCHEMBL5112373 0.74 CHRNA7 (0.48) USP30CHRNB4CHRNA3CHRNA7HTR3A
SCHEMBL5110318 0.70 CHRNB4 (0.47) USP30CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL6976933 0.69 CHRNB4 (0.48) CHRNB4CHRNA3CHRNA7HTR3AKCNH2
SCHEMBL5111037 0.68 CHRNA7 (0.51) USP30CHRNB4CHRNA3CHRNA7HTR3A

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 3 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
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US 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 GABRA1 174/4885GABRG2 477/4885GABRB3 131/4885

“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.