SCHEMBL20163723

SCHEMBL20163723

CC(C)CC1CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
NR1H2 P55055 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP3 P08254 1/20 0.39
ADAM17 P78536 1/20 0.39
MAPK1 P28482 2/20 0.38
ABCB11 O95342 1/20 0.38
POLB P06746 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL656014 0.85 DDB1 (0.44) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL31339121 0.85 NR1H2 (0.49) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL28845330 0.83 DDB1 (0.43) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL19342217 0.83 DDB1 (0.40) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL2250561 0.82 DDB1 (0.45) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL9967254 0.82 DDB1 (0.43) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL16825886 0.82 DDB1 (0.43) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL2250558 0.82 DDB1 (0.45) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL556807 0.81 PDK4 (0.39) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL21528222 0.81 JAK2 (0.42) DDB1CRBNMAPTKDM4ETHRB

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-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2018-05-24 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-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA DDB1 2061/4885CRBN 3971/4885MAPT 4656/4885
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA DDB1 2061/4885CRBN 3971/4885MAPT 4656/4885

“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.