SCHEMBL13000511

SCHEMBL13000511

CC(C)CN1CCC(C(C)(C)C(=O)N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
CYP2D6 P10635 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HRH3 Q9Y5N1 3/20 0.33
KCNH2 Q12809 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
PARP1 P09874 1/20 0.31
OPRM1 P35372 1/20 0.31
TSHR P16473 2/20 0.30
CYP2C9 P11712 1/20 0.30
CYP3A4 P08684 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NAMPT P43490 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3422883 0.81 PIK3CD (0.43) PIK3CDKDM4EALDH1A1TDP1PARP2
SCHEMBL3422709 0.76 PIK3CD (0.49) PIK3CDALDH1A1CYP2D6SMN1; SMN2TSHR
SCHEMBL8744403 0.75 GNAO1 (0.50) KCNH2
SCHEMBL3422467 0.74 PIK3CD (0.41) PIK3CDKDM4EALDH1A1TDP1PARP2
SCHEMBL425355 0.74 TSHR (0.43) PIK3CDCYP2D6SMN1; SMN2HRH3KCNH2
SCHEMBL3419546 0.73 PIK3CD (0.46) PIK3CDKDM4EALDH1A1TDP1CYP2D6
SCHEMBL5199917 0.73 ACHE (0.56) KCNH2OPRM1
Hydrochloric Acid SCHEMBL6491944 0.72 ACHE (0.55) KCNH2OPRM1
SCHEMBL3420061 0.71 PIK3CD (0.39) PIK3CDKDM4EALDH1A1TDP1PARP2
SCHEMBL23568456 0.71 PIK3CD (0.43) PIK3CDKDM4EALDH1A1TDP1CYP2D6

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-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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 (1 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-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD PIK3CD 3/4885KDM4E 4647/4885ALDH1A1 4423/4885

“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.