SCHEMBL22770568

SCHEMBL22770568

CC(C)(C)C1CC(C#N)(NCC2CC2)CCN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL22770535 0.77
SCHEMBL18319118 0.77 ALDH1A1 (0.34) DPP4CTSS
SCHEMBL17140651 0.75 SMN1; SMN2 (0.44) DPP4CTSBCTSSCTSK
SCHEMBL22770580 0.74
SCHEMBL17140740 0.73 SMN1; SMN2 (0.34) DPP4CTSBCTSSCTSK
SCHEMBL2887784 0.72 CHRM2 (0.30)
SCHEMBL17140956 0.71 GAA (0.49) DPP4CTSBCTSSCTSK
SCHEMBL10529384 0.71
SCHEMBL22576321 0.71 KDM4E (0.45) CTSK
SCHEMBL17140577 0.70 MAPT (0.40) DPP4

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 DPP4 2117/4885DPP8 2397/4885DPP9 1049/4885
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA DPP4 2117/4885DPP8 2397/4885DPP9 1049/4885

“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.