SCHEMBL5113901

SCHEMBL5113901

Fc1cccc(-c2ccc(N3CCN4CCCC3CC4)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHRNA7 P36544 2/20 0.41
GRM5 P41594 7/20 0.39
IL4I1 Q96RQ9 2/20 0.39
NPY5R Q15761 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
PDE4A P27815 1/20 0.38
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL5112387 0.98 GRM5 (0.41) HTR3AKCNH2GRM5IL4I1NPY5R
SCHEMBL5112516 0.91 GRM5 (0.44) KCNH2CHRNA7GRM5IL4I1NPY5R
SCHEMBL5110533 0.88 CHRNA7 (0.41) KCNH2CHRNA7GRM5NPY5RUSP30
SCHEMBL5112996 0.87 CNR2 (0.51) HTR3AKCNH2CHRNA7GRM5KDM2B
Hydrochloric Acid SCHEMBL5122041 0.87 CHRNA7 (0.41) KCNH2CHRNA7GRM5NPY5RUSP30
SCHEMBL5108182 0.87 HDAC8 (0.41) KDM2B
SCHEMBL5123021 0.85 CNR2 (0.53) KCNH2CHRNA7GRM5KDM2BPDE4A
SCHEMBL5115720 0.84 HDAC8 (0.42) KDM2B
SCHEMBL5123098 0.84 CHRNA7 (0.42) KCNH2CHRNA7GRM5NPY5RPDE4A
SCHEMBL5116623 0.81 KCNH2 (0.39) HTR3AKCNH2CHRNA7PDE4A

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 7 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
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 1656/4885CHRNA7 13/4885

“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.