SCHEMBL5429441

SCHEMBL5429441

O=C(ON(CC1CCCCC1)c1ccc(-c2ccc(OC3CN4CCC3CC4)cc2)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.42
CHRNA7 P36544 1/20 0.36
CHRM2 P08172 7/20 0.36
CHRM1 P11229 7/20 0.36
CHRM3 P20309 7/20 0.36
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5431557 0.79 CHRNA7 (0.53) LSSCHRNA7CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL5412775 0.76 LSS (0.44) LSSCHRNA7CHRM2CHRM1CHRM3
SCHEMBL5650196 0.71 LSS (0.49) LSSCHRNA7CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL5412769 0.70 LSS (0.44) LSSCHRNA7
SCHEMBL5417690 0.70 CHRNA7 (0.45) LSSCHRNA7CHRM1
SCHEMBL5408455 0.69 CHRNA7 (0.53) LSSCHRNA7CHRM2CHRM1CHRM3
SCHEMBL5420568 0.68 CHRM2 (0.50) LSSCHRNA7CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL5417070 0.68 LSS (0.50) LSSCHRNA7CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL5417065 0.68 LSS (0.50) LSSCHRNA7CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL5407597 0.68 CHRNA7 (0.53) LSSCHRNA7CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES JI JIANGUO 2007-11-29 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-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES CHRNA7, CHRNA9, CHRNA1 LSS 2291/4885CHRNA7 1/4885CHRM2 35/4885

“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.