SCHEMBL21447378

SCHEMBL21447378

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ IDH1 O75874 8/20 0.41
▸ NAAA Q02083 1/20 0.39
▸ IL6ST P40189 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
SCHEMBL21447381 1.00 NPC1 (0.44) NPC1LMNATP53HPGDRAB9A
SCHEMBL16432228 0.92 NPC1 (0.42) NPC1LMNATP53HPGDRAB9A
SCHEMBL18627327 0.92 NPC1 (0.42) NPC1LMNATP53HPGDRAB9A
SCHEMBL16432226 0.92 NPC1 (0.42) NPC1LMNATP53HPGDRAB9A
SCHEMBL23699057 0.88 HPGD (0.45) NPC1LMNATP53HPGDRAB9A
SCHEMBL4684591 0.88 HPGD (0.45) NPC1LMNATP53HPGDRAB9A
SCHEMBL12634643 0.88 HPGD (0.45) NPC1LMNATP53HPGDRAB9A
SCHEMBL4684580 0.88 HPGD (0.45) NPC1LMNATP53HPGDRAB9A
SCHEMBL23699056 0.88 HPGD (0.45) NPC1LMNATP53HPGDRAB9A
SCHEMBL21447357 0.88 HPGD (0.45) NPC1LMNATP53HPGDRAB9A

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-11352316-B2 Opioid receptor modulators and products and methods related thereto EPIODYNE, INC. (US) 2022-06-07 — — US disclosed
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-06-03 — — US disclosed
WO-2019195634-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. (US) 2019-10-10 — — 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 (2 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-11352316-B2 Opioid receptor modulators and products and methods related thereto OPRM1, OPRD1, OPRK1 NPC1 1812/4885LMNA 3394/4885TP53 4341/4885
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 NPC1 1812/4885LMNA 3394/4885TP53 4341/4885

“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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