SCHEMBL22770537

SCHEMBL22770537

CC(C)CC(O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.39
EPHX2 P34913 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 2/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CTSK P43235 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3645771 0.85 USP2 (0.45) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL22770512 0.78 USP2 (0.42) USP2SMN1; SMN2TSHRALOX15RECQL
SCHEMBL23071148 0.76 USP2 (0.45) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL19397229 0.76 USP2 (0.45) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL18418212 0.75 USP2 (0.50) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL4689141 0.75 USP2 (0.44) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL21158374 0.75 USP2 (0.46) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL1586924 0.74 USP2 (0.49) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL154164 0.74 USP2 (0.49) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL6634407 0.74 USP2 (0.49) USP2SMN1; SMN2TSHREPHX2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727378-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME LLC (US) 2023-02-22 EP disclosed
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2021-11-23 US disclosed
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2021-11-23 US disclosed
US-20200390760-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2020-12-17 US disclosed
US-20200390760-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2020-12-17 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-20200390760-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA USP2 3986/4885SMN1; SMN2 4497/4885TSHR 3466/4885
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA USP2 3986/4885SMN1; SMN2 4497/4885TSHR 3466/4885

“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.