SCHEMBL5111042

SCHEMBL5111042

COc1ccccc1-c1cncc(N2CCN3CCCC2CC3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KCNH2 Q12809 1/20 0.40
HTR7 P34969 2/20 0.39
CHRM4 P08173 2/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37
NTRK2 Q16620 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CHRNB1 P11230 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNB3 Q05901 2/20 0.36
CHRNA7 P36544 2/20 0.36
S1PR1 P21453 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM5 P08912 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
SCHEMBL5110299 0.98 CYP11B1 (0.43) CYP11B1CYP11B2KCNH2HTR7CHRM4
SCHEMBL5108155 0.91 CYP11B1 (0.41) CYP11B1CYP11B2HTR7CHRM4PDGFRB
SCHEMBL5108587 0.89 CYP11B1 (0.43) CYP11B1CYP11B2KCNH2HTR7CHRM4
Hydrochloric Acid SCHEMBL5107944 0.88 CYP11B1 (0.42) CYP11B1CYP11B2KCNH2HTR7CHRM4
SCHEMBL5115749 0.87 CHRNB2 (0.46) KCNH2HTR7CHRNB1CHRNB2CHRNB4
SCHEMBL5121830 0.85 CHRNA1 (0.43) CYP11B1CYP11B2KCNH2CHRNB2CHRNB4
SCHEMBL5115247 0.85 CYP11B1 (0.45) CYP11B1CYP11B2HTR7PDGFRBPDGFRA
SCHEMBL5121246 0.84 CHRNB2 (0.47) CYP11B2KCNH2HTR7CHRNB1CHRNB2
SCHEMBL5120729 0.83 PIM1 (0.41) CYP11B1CYP11B2KCNH2CHRNB2CHRNB4
SCHEMBL5107874 0.83 CHRNB4 (0.44) KCNH2CHRNB1CHRNB2CHRNB4CHRNA3

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 CYP11B1 273/4885CYP11B2 403/4885KCNH2 1656/4885

“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.