SCHEMBL5116073

SCHEMBL5116073

FC(F)(F)c1cccc(-c2cncc(N3CCN4CCC3C4)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
GRIN2B Q13224 5/20 0.37
GRIN1 Q05586 4/20 0.37
MGLL Q99685 1/20 0.37
HTR2B P41595 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP17A1 P05093 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR6 P50406 1/20 0.35

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
Hydrochloric Acid SCHEMBL5123727 0.99 CYP11B1 (0.42) CYP11B1CYP11B2NR3C1PGRGRIN2B
SCHEMBL5110755 0.94 CYP11B1 (0.41) CYP11B1CYP11B2NR3C1PGRMGLL
SCHEMBL5120701 0.92 CYP11B2 (0.45) CYP11B1CYP11B2NR3C1PGRGRIN2B
SCHEMBL5115363 0.89 CYP11B1 (0.41) CYP11B1CYP11B2NR3C1PGRGRIN2B
SCHEMBL5108697 0.87 CHRNB4 (0.42) CYP11B1CYP11B2
SCHEMBL5108601 0.87 CYP11B1 (0.43) CYP11B1CYP11B2NR3C1PGRGRIN2B
Hydrochloric Acid SCHEMBL5111544 0.86 CHRNB4 (0.41) CYP11B1CYP11B2
SCHEMBL5108247 0.83 CHRNB4 (0.49)
SCHEMBL5109496 0.83 CHRNB4 (0.36)
Hydrochloric Acid SCHEMBL5121891 0.82 CHRNB4 (0.48)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US claimed
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 CYP11B1 273/4885CYP11B2 403/4885NR3C1 149/4885

“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.