SCHEMBL4167639

SCHEMBL4167639

FC(F)(F)c1[c]c(CC=Cc2ccc(OC(F)(F)C(F)(F)F)cc2)ncc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL4177913 0.90 GRIK1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4173830 0.85 KDM4E (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4168519 0.84 RELA (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4174412 0.82 GRM4 (0.35)
SCHEMBL4168484 0.82 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4175680 0.81 CHRNA7 (0.32) CHRNA7
SCHEMBL4168497 0.81 DCTPP1 (0.35)
SCHEMBL4177697 0.81 PDE4B (0.30)
SCHEMBL4167660 0.78 P4HB (0.36)
SCHEMBL4170967 0.77 RELA (0.38) CHRNB4CHRNA3CHRNA7

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
US-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
US-8338443-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2012-12-25 US disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 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 (3 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-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 CHRNB2 1346/4885CHRNB4 1137/4885CHRNA3 992/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX CHRNB2 2470/4885CHRNB4 2279/4885CHRNA3 2473/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 CHRNB2 1386/4885CHRNB4 1302/4885CHRNA3 1220/4885

“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.