SCHEMBL5108587

SCHEMBL5108587

COc1ccccc1-c1cncc(N2CCN3CCC2C3)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HTR7 P34969 2/20 0.40
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CHRNB2 P17787 5/20 0.37
CHRNA4 P43681 5/20 0.37
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
UGCG Q16739 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
Hydrochloric Acid SCHEMBL5107944 0.99 CYP11B1 (0.42) CYP11B1CYP11B2HTR7PDGFRBPDGFRA
SCHEMBL5108155 0.93 CYP11B1 (0.41) CYP11B1CYP11B2HTR7PDGFRBPDGFRA
SCHEMBL5115247 0.92 CYP11B1 (0.45) CYP11B1CYP11B2HTR7PDGFRBPDGFRA
SCHEMBL5111042 0.89 CYP11B1 (0.41) CYP11B1CYP11B2HTR7PDGFRBPDGFRA
SCHEMBL5110299 0.86 CYP11B1 (0.43) CYP11B1CYP11B2HTR7PDGFRBPDGFRA
SCHEMBL5111263 0.86 CHRNB4 (0.43) HTR7CHRNB2CHRNA4CHRNA7HTR3A
Hydrochloric Acid SCHEMBL5122378 0.85 CHRNB4 (0.42) HTR7CHRNB2CHRNA4CHRNA7HTR3A
SCHEMBL5110062 0.85 PIM1 (0.40) CYP11B1CYP11B2CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL5112800 0.84 PIM1 (0.39) CYP11B1CYP11B2CHRNB2CHRNA4CHRNA7
SCHEMBL5108247 0.82 CHRNB4 (0.49) CHRNB2CHRNA7CHRNB4CHRNA3

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 6 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
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 CYP11B1 273/4885CYP11B2 403/4885HTR7 440/4885

“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.