SCHEMBL5111763

SCHEMBL5111763

c1cnc(N2CCN3CCCC2CC3)cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.39
KCNH2 Q12809 4/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRNA7 P36544 4/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5121931 0.97 KDM4E (0.38) HTR3AKCNH2CHRM2CHRM4KMT2A
SCHEMBL5111132 0.88 KMT2A (0.39) CHRM2CHRM4KMT2AKDM4E
SCHEMBL5112722 0.84 CHRM2 (0.39) CHRM2CHRNA7KMT2AKDM4E
Hydrochloric Acid SCHEMBL5114199 0.83 CHRM2 (0.38) CHRM2CHRNA7KMT2AKDM4E
SCHEMBL5121163 0.79 CHRM2 (0.39) CHRM2KMT2AKDM4E
SCHEMBL5111206 0.79 CHRNA7 (0.46) HTR3ACHRNA7KDM4E
SCHEMBL5111451 0.75 CHRNA7 (0.42) HTR3ACHRNA7KDM4E
SCHEMBL5111041 0.75 CHRNA7 (0.48) HTR3ACHRM4CHRNA7
SCHEMBL5110025 0.74 CHRNA7 (0.45) HTR3AKCNH2CHRNA7
SCHEMBL5112298 0.74 HTR3A (0.45) HTR3AKCNH2CHRNA7

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 HTR3A 314/4885KCNH2 1656/4885CHRM2 30/4885

“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.