SCHEMBL12634591

SCHEMBL12634591

CCC1=Cc2c(cccc2OCCO)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
LOX P28300 1/20 0.33
AOC3 Q16853 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 0.33
TIPARP Q7Z3E1 2/20 0.32
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
S1PR5 Q9H228 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR1I2 O75469 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL12634571 0.87 IDO1 (0.33) IDO1ALDH1A1RECQLTIPARPPDE10A
SCHEMBL7056142 0.80 HTR2A (0.40) DRD2DRD3
SCHEMBL12635282 0.76 NAMPT (0.39) L3MBTL1DRD2
SCHEMBL1583270 0.72 DPP4 (0.39) DRD2
SCHEMBL16393791 0.71 GABRA1 (0.39) MEN1KMT2AMAPTDRD2DRD3
SCHEMBL2975173 0.69 GABRA1 (0.33)
SCHEMBL5953900 0.69 ADRA2A (0.40) NPSR1
SCHEMBL7053653 0.67 GABRA1 (0.36) LMNATSHR
SCHEMBL4465934 0.67 BRD4 (0.34) S1PR5DRD2LMNA
SCHEMBL3933769 0.67 LOX (0.59) IDO1LOXAOC3ALDH1A1RECQL

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 IDO1 2985/4885LOX 4154/4885AOC3 2407/4885

“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.