SCHEMBL5114002

SCHEMBL5114002

COc1ccc(-c2cncc(N3CCN4CCCC3CC4)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.47
CHRNB4 P30926 7/20 0.47
CHRNA3 P32297 7/20 0.47
CHRNB1 P11230 3/20 0.47
CHRNB3 Q05901 3/20 0.47
TGFBR1 P36897 1/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CHRNA4 P43681 5/20 0.38
UGCG Q16739 1/20 0.38
MAP4K4 O95819 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL5117175 0.98 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5110035 0.91 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5114726 0.88 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5114127 0.88 CHRNB4 (0.44) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5110310 0.88 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5114425 0.88 CYP11B1 (0.41) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL5121768 0.87 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5107938 0.86 CHRNB4 (0.47) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5112358 0.86 CHRNB4 (0.46) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5120666 0.85 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3

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 CHRNB2 10/4885CHRNB4 11/4885CHRNA3 14/4885

“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.