SCHEMBL28949656

SCHEMBL28949656

CCOC[C@@]1(C=O)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCD5 Q86SK9 1/20 0.36
CYP11B2 P19099 1/20 0.35
USP30 Q70CQ3 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NR1H2 P55055 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
TACR1 P25103 1/20 0.34
ACACB O00763 2/20 0.33
GPR183 P32249 1/20 0.33
HPGD P15428 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL20501138 1.00 USP2 (0.38) USP2SMN1; SMN2SCD5CYP11B2USP30
SCHEMBL20493117 1.00 USP2 (0.38) USP2SMN1; SMN2SCD5CYP11B2USP30
SCHEMBL18597643 0.85 USP2 (0.39) USP2SMN1; SMN2SCD5CYP11B2USP30
SCHEMBL415477 0.85 USP2 (0.39) USP2SMN1; SMN2SCD5CYP11B2USP30
SCHEMBL20493572 0.83 L3MBTL1 (0.31)
SCHEMBL20493570 0.83 L3MBTL1 (0.31)
SCHEMBL20494045 0.83 L3MBTL1 (0.31)
SCHEMBL17065177 0.81 USP2 (0.46) USP2SMN1; SMN2DDB1CRBNNR1H2
SCHEMBL414016 0.81 USP2 (0.38) USP2SMN1; SMN2SCD5CYP11B2USP30
SCHEMBL30195760 0.81 TACR1 (0.51) SCD5CYP11B2USP30GPR119TACR1

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-11584765-B2 Polycyclic amines as sigma receptor modulators Ecstasy LLC (US) 2023-02-21 US disclosed
CN-110662541-B Polycyclic amines as opioid receptor modulators 王晓冬 2023-02-10 CN disclosed
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2022-12-29 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 (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-11584765-B2 Polycyclic amines as sigma receptor modulators OPRM1, SIGMAR1, OPRK1 USP2 4301/4885SMN1; SMN2 2013/4885SCD5 1565/4885
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 USP2 4571/4885SMN1; SMN2 1973/4885SCD5 1803/4885

“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.