SCHEMBL21475259

SCHEMBL21475259

CC(C)c1c(OCC(C)c2cc(F)c(O)c(F)c2)c(=O)c1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ HMGCR P04035 2/20 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
SCHEMBL24761803 0.77 HMGCR (0.31) HMGCR
SCHEMBL9908615 0.66 ADRB2 (0.44) ADRB2ADRB1ADRB3
SCHEMBL25147626 0.66 ADRB2 (0.44) ADRB2ADRB1ADRB3
SCHEMBL99223 0.65 GABRA1 (0.54) ADRB2ADRB1ADRB3
SCHEMBL24450880 0.65 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL22924942 0.65 ADRB2 (0.43) ADRB2ADRB1ADRB3
SCHEMBL12331424 0.64 POLB (0.45) —
SCHEMBL31522451 0.64 ADRB2 (0.41) ADRB2ADRB1ADRB3
SCHEMBL24743652 0.62 ADRB2 (0.41) ADRB2ADRB1ADRB3
SCHEMBL2302293 0.62 MGAM (0.38) ADRB2ADRB1ADRB3

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-20190315687-A1 Substituted Pyrrolidines and Methods of Use ABBVIE S.Á.R.L. (LU) 2019-10-17 — — 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-20190315687-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 ADRB2 621/4885ADRB1 515/4885ADRB3 326/4885

“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.

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