SCHEMBL12634643

SCHEMBL12634643

C[C@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ IDH1 O75874 5/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NAAA Q02083 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ IL6ST P40189 1/20 0.39

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
SCHEMBL23699057 1.00 HPGD (0.45) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL21447357 1.00 HPGD (0.45) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4684591 1.00 HPGD (0.45) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL23699056 1.00 HPGD (0.45) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4684580 1.00 HPGD (0.45) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5234399 0.92 NPC1 (0.41) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5234391 0.92 NPC1 (0.41) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2892373 0.92 IDH1 (0.46) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL18262594 0.90 IDH1 (0.43) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL18271440 0.90 IDH1 (0.43) HPGDRAB9ANPC1SMN1; SMN2LMNA

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 HPGD 1746/4885RAB9A 3247/4885NPC1 3304/4885

“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.

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