SCHEMBL22959552

SCHEMBL22959552

CC(C)(C)N1CCC2(CC1)CCN(S(=O)(=O)C(C)(C)C)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
OPRM1 P35372 1/20 0.33
GRIN1 Q05586 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CNR2 P34972 1/20 0.32
SPR P35270 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP2D6 P10635 3/20 0.31
HIF1A Q16665 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL18418138 0.84 CYP2D6 (0.41) CYP1A2CYP2D6HIF1AUSP2ALDH1A1
SCHEMBL21287864 0.78 CYP3A4 (0.42) CYP1A2CYP2D6HIF1AUSP2ALDH1A1
SCHEMBL22257014 0.78 GRIN2D (0.38) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL21287866 0.76 CYP2D6 (0.45) CYP1A2CYP2D6HIF1AUSP2ALDH1A1
SCHEMBL22257013 0.76 GRIN2D (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL22257019 0.76 CYP2D6 (0.51) CYP1A2CYP2D6HIF1AUSP2ALDH1A1
SCHEMBL14263102 0.74
SCHEMBL16117660 0.74 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL21094271 0.73 CYP2D6 (0.38) CYP1A2CYP2D6HIF1AUSP2ALDH1A1
SCHEMBL19504445 0.73 CYP2D6 (0.41) CYP1A2CYP2D6HIF1AUSP2ALDH1A1

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-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-03 US disclosed
US-20210038599-A1 SMALL MOLECULE DEGRADERS OF POLYBROMO-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-11 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-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 GRIN2D 4449/4885GRIN3B 3237/4885CHRM2 2705/4885
US-20210038599-A1 SMALL MOLECULE DEGRADERS OF POLYBROMO-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 GRIN2D 4449/4885GRIN3B 3237/4885CHRM2 2705/4885

“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.