SCHEMBL12635237

SCHEMBL12635237

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2ccccc2O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
MAOB P27338 1/20 0.52
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DRD2 P14416 3/20 0.47
EPHX2 P34913 1/20 0.46
BTK Q06187 2/20 0.46
HSD11B1 P28845 1/20 0.46
JAK1 P23458 3/20 0.42
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
KCNA3 P22001 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
LIPG Q9Y5X9 1/20 0.40

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
SCHEMBL12635249 0.80 KMT2A (0.47) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL12635236 0.80 KMT2A (0.47) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL21232389 0.79 KMT2A (0.53) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL20106543 0.79 KMT2A (0.53) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL20106544 0.79 KMT2A (0.53) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL20106566 0.78 KMT2A (0.52) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL21232390 0.78 KMT2A (0.52) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL21311673 0.77 KMT2A (0.51) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL19380852 0.77 KDM1A (0.68) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL15599599 0.76 KDM1A (0.54) KDM1AMAOBKMT2AL3MBTL1DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same OCERA THERAPEUTICS, INC. 2011-05-05 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-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same GHSR, GHRHR, GIPR KDM1A 3216/4885MAOB 3214/4885KMT2A 1737/4885

“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.