SCHEMBL20427566

SCHEMBL20427566

O[C@@H]1CNC[C@H](C2CC2(F)F)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.32
CHRNB2 P17787 4/20 0.32
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32
CHRNA7 P36544 4/20 0.32
CHRNA4 P43681 4/20 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
SCHEMBL18663685 1.00 CCR5 (0.32) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18663745 1.00 CCR5 (0.32) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16893316 0.72
SCHEMBL18663772 0.70 CHRNB2 (0.43) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19189263 0.70 CHRNB2 (0.43) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25428547 0.70
SCHEMBL21460190 0.70 CHRNB2 (0.43) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17082823 0.70 CHRNB2 (0.43) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12350249 0.69
SCHEMBL22795640 0.69

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-10035766-B2 Compositions for preventing and/or treating lysosomal storage disorders AMICUS THERAPEUTICS, INC. (US) 2018-07-31 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-10035766-B2 Compositions for preventing and/or treating lysosomal storage disorders GAA, GBA1, MAN2B1 CCR5 4629/4885CHRNB2 2843/4885CHRNB4 3100/4885

“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.