SCHEMBL5531947

SCHEMBL5531947

Cc1nc2nc(N3CCN4CCC3CC4)oc2cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.76
HTR3A P46098 7/20 0.76
CHRNA7 P36544 4/20 0.76
CHRM4 P08173 1/20 0.65
CHRM5 P08912 1/20 0.65
CHRM1 P11229 1/20 0.65
CHRM3 P20309 1/20 0.65
CHRNB4 P30926 1/20 0.65
CHRNA3 P32297 1/20 0.65

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
SCHEMBL5248370 0.88 HTR3A (0.77) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5250658 0.86 HTR3A (0.74) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5251981 0.86 HTR3A (1.00) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5250867 0.83 HTR3A (0.69) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5531588 0.82 HTR3A (0.68) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5909611 0.82 HTR3A (0.68) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5909613 0.82 HTR3A (0.68) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5249484 0.81 HTR3A (0.67) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5251777 0.80 HTR3A (0.88) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5251773 0.80 HTR3A (0.88) KCNH2HTR3ACHRNA7CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166974-A1 Azabenzoxazoles for the treatment of CNS disorders PFIZER INC. 2006-07-27 US claimed
EP-1814887-A1 AZABENZOXAZOLES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Incorporated (US) 2007-08-08 EP disclosed
US-20060166974-A1 Azabenzoxazoles for the treatment of CNS disorders PFIZER INC. 2006-07-27 US disclosed
US-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor PFIZER INC 2006-06-29 US disclosed
WO-2006051407-A1 AZABENZOXAZOLES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-05-18 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 (2 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-20060166974-A1 Azabenzoxazoles for the treatment of CNS disorders CHRNA7, CHRNA5, CHRNA10 KCNH2 2357/4885HTR3A 316/4885CHRNA7 1/4885
US-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor CHRNA7, CHRNA5, CHRNA4 KCNH2 451/4885HTR3A 238/4885CHRNA7 1/4885

“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.