SCHEMBL3702103

SCHEMBL3702103

FC(F)(F)CCC1CNCc2ccc(Cl)nc2O1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA7 P36544 3/20 0.32
CHRNA4 P43681 3/20 0.32
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3705850 0.76
SCHEMBL3741228 0.76 SLC6A2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10200444 0.75 HTR2A (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL2106541 0.73 HTR2A (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3747615 0.72 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3706863 0.70 MEN1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3706859 0.70 MEN1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3702568 0.70 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3741207 0.67 LDHA (0.34)
SCHEMBL3751168 0.66 CYP2A6 (0.36) CHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US 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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 CHRNB2 135/4885CHRNB4 219/4885CHRNA3 535/4885

“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.