SCHEMBL12635239

SCHEMBL12635239

COc1ccccc1[C@@H]1CCC(=O)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.55
ADRA1D P25100 1/20 0.55
HTR2C P28335 2/20 0.54
MAP1LC3B Q9GZQ8 1/20 0.51
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.45
USP2 O75604 1/20 0.45
POLL Q9UGP5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL12635245 1.00 ADRA1A (0.55) ADRA1AADRA1DHTR2CMAP1LC3BPDE4A
SCHEMBL30129583 1.00 ADRA1A (0.55) ADRA1AADRA1DHTR2CMAP1LC3BPDE4A
SCHEMBL12667873 1.00 ADRA1A (0.55) ADRA1AADRA1DHTR2CMAP1LC3BPDE4A
SCHEMBL824116 0.92 HTR2C (0.53) ADRA1AADRA1DHTR2CMAP1LC3BPDE4A
SCHEMBL34463201 0.92 HTR2C (0.53) ADRA1AADRA1DHTR2CMAP1LC3BPDE4A
SCHEMBL29487580 0.90 HTR2C (0.62) ADRA1AADRA1DHTR2CMAP1LC3BMEN1
SCHEMBL5290305 0.90 HTR2C (0.62) ADRA1AADRA1DHTR2CMAP1LC3BMEN1
SCHEMBL26918402 0.85 HTR2C (0.57) ADRA1AADRA1DHTR2CMAP1LC3BPDE4A
SCHEMBL643845 0.83 MAP1LC3B (0.57) ADRA1AADRA1DHTR2CMAP1LC3BMEN1
SCHEMBL30384404 0.83 MAP1LC3B (0.54) ADRA1AADRA1DHTR2CMAP1LC3BMEN1

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-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same OCERA THERAPEUTICS, INC. 2011-05-05 US disclosed
US-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same OCERA THERAPEUTICS, INC. 2011-05-05 US disclosed
WO-2011053821-A1 MACROCYCLIC GHRELIN RECEPTOR ANTAGONISTS AND INVERSE AGONISTS AND METHODS OF USING THE SAME TRANZYME PHARMA, INC. (US) 2011-05-05 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-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same GHSR, GHRHR, GIPR ADRA1A 262/4885ADRA1D 300/4885HTR2C 149/4885

“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.