SCHEMBL585157

SCHEMBL585157

O[C@H]1CCc2ccc3c(c21)[C@@H](O)CC3

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
ANPEP P15144 1/20 0.33
OPRK1 P41145 1/20 0.33
MAP3K14 Q99558 1/20 0.32
CHRM4 P08173 1/20 0.31
HTR7 P34969 1/20 0.31
DRD4 P21917 1/20 0.31
POLA1 P09884 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
TSHR P16473 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
SCHEMBL22012098 0.80 PARP1 (0.37)
SCHEMBL3071652 0.77
SCHEMBL6944904 0.77 CYP1A2 (0.51) CYP1A2CYP2C9CYP2D6CYP2C19HIF1A
SCHEMBL24992268 0.77 DRD2 (0.46) DRD2
SCHEMBL1438023 0.75 MAP3K14 (0.53) DRD2MAP3K14
SCHEMBL17397762 0.75 P2RX7 (0.37) ANPEP
SCHEMBL4643692 0.75 ALDH1A1 (0.38) ANPEPCYP1A2CYP2C9TSHR
SCHEMBL18986893 0.75 P2RX7 (0.37) ANPEP
SCHEMBL19953487 0.75 DRD2 (0.41) CYP11B1CYP11B2DRD2DRD3ANPEP
SCHEMBL18204541 0.75 HTR2C (0.45) CYP2D6

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-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
EP-2416879-A1 CYCLIC IMIDATE LIGANDS Universiteit Gent (BE) 2012-02-15 EP disclosed
WO-2010115903-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2010-10-14 WO 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-20120077989-A1 CYCLIC IMIDATE LIGANDS IDH2, CYCS, NAPRT CYP11B1 2238/4885CYP11B2 2013/4885DRD2 3664/4885

“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.