SCHEMBL29919587

SCHEMBL29919587

CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 7/20 0.47
MCL1 Q07820 1/20 0.47
ATM Q13315 1/20 0.47
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
SYK P43405 1/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CYP19A1 P11511 1/20 0.40
APP P05067 1/20 0.40
PTPN1 P18031 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40

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
SCHEMBL22120986 0.90 BCL2 (0.47) BCL2MCL1ATMMYCMAX
SCHEMBL29162420 0.88 ACE (0.54) BCL2MCL1PPARACTSLPTPN1
SCHEMBL29919451 0.86 BCL2 (0.43) BCL2MCL1ATMMYCMAX
SCHEMBL29919848 0.86 BCL2 (0.52) BCL2MCL1PPARACTSLITGA4
SCHEMBL1731189 0.86 BCL2 (0.52) BCL2MCL1PPARACTSLITGA4
SCHEMBL31232679 0.83 BCL2 (0.41) BCL2MCL1ATMMYCMAX
SCHEMBL22154629 0.83 BCL2 (0.41) BCL2MCL1ATMMYCMAX
SCHEMBL22154247 0.83 BCL2 (0.47) BCL2MCL1ATMSYKPPARA
SCHEMBL28642378 0.83 BCL2 (0.47) BCL2MCL1ATMSYKPPARA
SCHEMBL10214923 0.82 ATM (0.50) BCL2ATMSYKPPARAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168648-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2024-12-17 US disclosed
US-20240092746-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. 2024-03-21 US disclosed
EP-4320105-A1 OPIOID RECEPTOR MODULATORS Epiodyne, Inc. (US) 2024-02-14 EP disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 US disclosed
US-20220356157-A1 OPIOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-10 US disclosed
WO-2022216750-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. (US) 2022-10-13 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 (4 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-20240092746-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 BCL2 4555/4885MCL1 4355/4885ATM 4757/4885
US-12168648-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 BCL2 4555/4885MCL1 4355/4885ATM 4757/4885
US-11634396-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 BCL2 4555/4885MCL1 4355/4885ATM 4757/4885
US-20220356157-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 BCL2 4555/4885MCL1 4355/4885ATM 4757/4885

“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.