SCHEMBL5121749

SCHEMBL5121749

c1ccc(-c2ccc(N3CCN4CC3C4)nn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.57
HTR3A P46098 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
USP30 Q70CQ3 2/20 0.47
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5107127 0.90 CHRNA7 (0.53) CHRNA7HTR3ACHRNB4CHRNA3USP30
Hydrochloric Acid SCHEMBL5123165 0.89 CHRNA7 (0.52) CHRNA7HTR3ACHRNB4CHRNA3USP30
SCHEMBL5111037 0.88 CHRNA7 (0.51) CHRNA7HTR3ACHRNB4CHRNA3USP30
SCHEMBL7512345 0.87 CHRNA7 (0.52) CHRNA7HTR3ACHRNB4CHRNA3USP30
SCHEMBL5109973 0.84 CHRNA7 (0.50) CHRNA7HTR3ACHRNB4CHRNA3USP30
SCHEMBL5112373 0.82 CHRNA7 (0.48) CHRNA7HTR3ACHRNB4CHRNA3USP30
SCHEMBL454539 0.74 CHRNA7 (0.61) CHRNA7
SCHEMBL6624686 0.74 CHRNA7 (0.61) CHRNA7
SCHEMBL4109510 0.72 CHRNA7 (1.00) CHRNA7
SCHEMBL4109513 0.72 CHRNA7 (1.00) CHRNA7

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 CHRNA7 13/4885HTR3A 314/4885CHRNB4 11/4885

“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.