SCHEMBL23357006

SCHEMBL23357006

CC(C)(C)OC(=O)N[C@@H](Cc1cnc2c(cnn2C2CCCCO2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.41
▸ PTPN1 P18031 3/20 0.41
▸ ITGA4 P13612 2/20 0.41
▸ ITGB7 P26010 2/20 0.41
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ ATM Q13315 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ATR Q13535 2/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36

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
SCHEMBL23357008 1.00 ACE (0.41) ACEPTPN1ITGA4ITGB7RXRA
SCHEMBL21447298 0.92 KLK5 (0.38) ACEITGA4ITGB7RXRARXRB
SCHEMBL28559660 0.92 KLK5 (0.38) ACEITGA4ITGB7RXRARXRB
SCHEMBL21447300 0.88 RXRA (0.38) ACERXRARXRBRXRGATM
SCHEMBL21447319 0.81 RXRA (0.35) ACERXRARXRBRXRGATM
SCHEMBL29688302 0.81 RXRA (0.35) ACERXRARXRBRXRGATM
SCHEMBL23356981 0.77 RXRA (0.44) RXRARXRBRXRGMAPK1ATR
SCHEMBL23356978 0.77 RXRA (0.44) RXRARXRBRXRGMAPK1ATR
SCHEMBL31758162 0.74 MAPK1 (0.40) ACEITGA4ITGB7MAPK1ITGB3
SCHEMBL28574846 0.74 RXRA (0.41) RXRARXRBRXRGATR

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
US-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-05-20 — — 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 (3 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 ACE 2786/4885PTPN1 3503/4885ITGA4 3311/4885
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 ACE 2786/4885PTPN1 3503/4885ITGA4 3311/4885
US-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 ACE 2936/4885PTPN1 2924/4885ITGA4 2883/4885

“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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