SCHEMBL22770534

SCHEMBL22770534

COc1ccc(CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)CC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM1A O60341 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.44
CYP2D6 P10635 3/20 0.43
CYP3A4 P08684 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
GHSR Q92847 1/20 0.43
TSHR P16473 2/20 0.43
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL2696809 0.89 HDAC1 (0.47) HDAC1HDAC8HDAC6TP53GPR119
SCHEMBL2340026 0.88 HDAC1 (0.48) HDAC1HDAC8HDAC6TP53GPR119
SCHEMBL12447685 0.88 OPRD1 (0.51) ALDH1A1HDAC1HDAC8HDAC6TP53
SCHEMBL2695429 0.88 HDAC1 (0.53) ALDH1A1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL2694180 0.87 HDAC1 (0.45) HDAC1HDAC8HDAC6TP53GPR119
SCHEMBL21753298 0.86 GPR119 (0.54) GPR119
SCHEMBL12543528 0.84 HDAC1 (0.51) ALDH1A1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL17761442 0.83 HDAC1 (0.54) ALDH1A1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL1963140 0.82 AADAT (0.49) ALDH1A1L3MBTL1CYP2D6CYP3A4TSHR
SCHEMBL2340999 0.82 CCR5 (0.42) ALDH1A1L3MBTL1CYP2D6CYP3A4OPRM1

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 3 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-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 ALDH1A1 2496/4885L3MBTL1 4166/4885HDAC1 4699/4885
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA ALDH1A1 2496/4885L3MBTL1 4166/4885HDAC1 4699/4885

“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.