SCHEMBL5115004

SCHEMBL5115004

c1ccc2ncc(N3CCN4CCCC3CC4)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.62
HTR3A P46098 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
DHFR P00374 1/20 0.43
CNR2 P34972 4/20 0.42
CNR1 P21554 2/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL5115976 0.97 CHRNA7 (0.57) CHRNA7HTR3ACHRNB2CHRNA4DHFR
SCHEMBL6543734 0.95 CHRNA7 (0.67) CHRNA7HTR3ACHRNB2CHRNA4DHFR
SCHEMBL5108483 0.90 CHRNA7 (0.49) CHRNA7HTR3ACHRNB2CHRNA4DHFR
SCHEMBL5107855 0.87 CHRNA7 (0.57) CHRNA7HTR3ACHRNB2CHRNA4DHFR
Hydrochloric Acid SCHEMBL5122590 0.86 CHRNA7 (0.60) CHRNA7HTR3ACHRNB2CHRNA4DHFR
SCHEMBL5122228 0.82 HTR3A (0.51) CHRNA7HTR3ACHRNB2CHRNA4DHFR
SCHEMBL6544013 0.78 CHRNA7 (0.56) CHRNA7HTR3ACNR2CNR1KCNH2
SCHEMBL5107874 0.74 CHRNB4 (0.44) CHRNA7HTR3ACHRNB2KCNH2
SCHEMBL6544552 0.74 CHRNA7 (0.52) CHRNA7HTR3ACHRNB2CHRNA4KCNH2
SCHEMBL5121880 0.73 CHRNA7 (0.47) CHRNA7HTR3ACHRNB2CHRNA4KCNH2

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 9 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
US-7318964-B2 Fluorene compounds containing various functional groups, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-01-15 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
US-20030091859-A1 Fluorene compounds containing various functional groups, polymers thereof and el element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-05-15 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 (2 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-20030091859-A1 Fluorene compounds containing various functional groups, polymers thereof and el element using the same AFF4, AFF2, LEF1 CHRNA7 4433/4885HTR3A 4568/4885CHRNB2 4123/4885
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT CHRNA7 13/4885HTR3A 314/4885CHRNB2 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.