SCHEMBL26470310

SCHEMBL26470310

CC(C)(C)OC(=O)N1CC(CNOCc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
BRD4 O60885 1/20 0.48
STS P08842 1/20 0.47
HTR6 P50406 3/20 0.44
BCHE P06276 2/20 0.44
GPR119 Q8TDV5 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
YAP1 P46937 2/20 0.44
ACKR3 P25106 1/20 0.44
USP30 Q70CQ3 1/20 0.43
RORC P51449 1/20 0.43
TACR1 P25103 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H2 P55055 1/20 0.42

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
SCHEMBL8651537 0.84 NAMPT (0.61) NAMPTKDM4EPKMBRD4STS
SCHEMBL24392548 0.83 NAMPT (0.50) NAMPTKDM4EPKMBRD4STS
SCHEMBL2826301 0.83 NAMPT (0.61) NAMPTKDM4EPKMBRD4STS
SCHEMBL24392570 0.81 NAMPT (0.48) NAMPTKDM4EPKMBRD4STS
SCHEMBL21753086 0.81 NAMPT (0.52) NAMPTKDM4EPKMBRD4STS
SCHEMBL21641290 0.81 STS (0.52) NAMPTKDM4EPKMSTSGPR119
SCHEMBL17736150 0.80 NAMPT (0.56) NAMPTKDM4EPKMBRD4STS
SCHEMBL5870674 0.80 NAMPT (0.62) NAMPTKDM4EPKMBRD4STS
SCHEMBL23426349 0.79 NAMPT (0.50) NAMPTKDM4EPKMSTSGPR119
SCHEMBL26454282 0.79 NAMPT (0.51) NAMPTKDM4EPKMBRD4STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 NAMPT 1241/4885KDM4E 2488/4885PKM 2025/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH NAMPT 1704/4885KDM4E 2733/4885PKM 1800/4885

“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.