SCHEMBL22770533

SCHEMBL22770533

CC(C)(C)OC(=O)N1CCC(CN)(NCC2CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
NAMPT P43490 1/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
EPHX1 P07099 1/20 0.41
KDM1A O60341 1/20 0.41
NR1H2 P55055 1/20 0.41
CNR2 P34972 1/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
GNRHR P30968 1/20 0.39

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
SCHEMBL29205778 0.81 USP2 (0.45) NAMPTEPHX1HPGDEPHX2SMN1; SMN2
SCHEMBL1003106 0.79 EPHX2 (0.46) NAMPTEPHX1CNR2HPGDEPHX2
SCHEMBL22576321 0.79 KDM4E (0.45) KDM4EPKMNAMPTFPR3FPR2
SCHEMBL1820480 0.77 NR1H2 (0.43) KDM4EPKMEPHX1NR1H2HPGD
SCHEMBL1586974 0.75 EPHX2 (0.43) EPHX1EPHX2JAK2JAK1SMN1; SMN2
SCHEMBL343979 0.75 USP2 (0.47) EPHX1NR1H2HPGDEPHX2SMN1; SMN2
SCHEMBL18319088 0.74 EPHX2 (0.42) KDM4ENAMPTEPHX1CNR2EPHX2
SCHEMBL5573225 0.74 KDM4E (0.63) KDM4EPKMEPHX1KDM1AHPGD
SCHEMBL18418212 0.74 USP2 (0.50) EPHX1NR1H2HPGDEPHX2SMN1; SMN2
SCHEMBL19625229 0.74 EPHX2 (0.39) NAMPTEPHX2SMN1; SMN2USP2

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 KDM4E 4298/4885PKM 1825/4885NAMPT 310/4885
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA KDM4E 4298/4885PKM 1825/4885NAMPT 310/4885

“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.