SCHEMBL21472090

SCHEMBL21472090

CC(CN)CC(C)(C)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 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
SCHEMBL3733303 0.88
SCHEMBL669997 0.82
SCHEMBL14489268 0.82 GABRR1 (0.30)
SCHEMBL4167824 0.80 CYP2D6 (0.50) ALDH1A1CYP2D6GABBR2GABBR1
SCHEMBL2240059 0.80
SCHEMBL276000 0.79
SCHEMBL19518913 0.79
SCHEMBL1169300 0.78
SCHEMBL4464863 0.78 ALDH1A1 (0.33) ALDH1A1CYP2D6GABBR2GABBR1
SCHEMBL23439968 0.76 ALDH1A1 (0.32) ALDH1A1CYP2D6GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 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 (2 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-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL ALDH1A1 2958/4885CYP2D6 4618/4885GABBR2 2538/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL ALDH1A1 2958/4885CYP2D6 4618/4885GABBR2 2538/4885

“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.