SCHEMBL12857035

SCHEMBL12857035

COC(=O)C1(O)CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
OPRM1 P35372 4/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL24347023 0.88 USP2 (0.41) SCN1ASCN2ASCN3AGAAMAPK1
SCHEMBL390361 0.81
SCHEMBL769144 0.81 NPSR1 (0.35) NPSR1
SCHEMBL24883466 0.81 NPSR1 (0.35) NPSR1CYP1A2
SCHEMBL1447288 0.79 CYP3A4 (0.35) MAPK1NPSR1USP2OPRM1OPRK1
SCHEMBL2055527 0.78 SCN1A (0.42) SCN1ASCN2ASCN3ANPSR1USP2
SCHEMBL11840104 0.78 OPRM1 (0.54) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL1954879 0.78 NPSR1 (0.33) NPSR1
SCHEMBL26409835 0.78 SCN1A (0.36) SCN1ASCN2ASCN3AGAAMAPK1
SCHEMBL11349806 0.77 OPRK1 (0.36) NPSR1USP2OPRK1

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
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 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 (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-20110028515-A1 NEW PIPERIDINE DERIVATIVES ADRA1D, ADORA1, H1-0 SCN1A 189/4885SCN2A 188/4885SCN3A 456/4885

“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.