SCHEMBL3327185

SCHEMBL3327185

COC(=O)C(CC1CC1)[C@@H]1c2ccccc2C[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
EPHX2 P34913 1/20 0.39
ATM Q13315 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM1A O60341 2/20 0.38
MAOB P27338 1/20 0.38
PYGL P06737 1/20 0.38
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN9A Q15858 1/20 0.35
IDO1 P14902 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
USP2 O75604 1/20 0.34
KLK5 Q9Y337 1/20 0.34

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
SCHEMBL3327685 0.85 PYGL (0.49) DRD2EPHX2ATMNFKB1NFKB2
SCHEMBL13299052 0.84 EPHX2 (0.45) DRD2EPHX2ATMNFKB1NFKB2
SCHEMBL4158955 0.82 EPHX2 (0.44) DRD2EPHX2ATMNFKB1NFKB2
SCHEMBL3327689 0.79 DRD4 (0.39) ATMPYGLKMT2AUSP2TSHR
Hydrochloric Acid SCHEMBL3327686 0.78 DRD4 (0.39) KDM1AKMT2AUSP2TSHR
SCHEMBL3331272 0.78 EPHX2 (0.45) DRD2EPHX2ATMNFKB1NFKB2
SCHEMBL4708793 0.78 EPHX2 (0.45) DRD2EPHX2ATMNFKB1NFKB2
SCHEMBL3325661 0.75 PYGL (0.43) DRD2EPHX2ATMNFKB1NFKB2
SCHEMBL13299061 0.74 DRD2 (0.44) DRD2EPHX2ATMNFKB1NFKB2
SCHEMBL8651845 0.74 ATM (0.42) EPHX2ATMKDM1AMAOBKMT2A

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
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 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-20100137397-A1 Chemical Compounds PYGL, PYGM, GYS2 DRD2 4782/4885EPHX2 2475/4885ATM 2986/4885

“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.