SCHEMBL25857186

SCHEMBL25857186

CCOC(=O)CNC1(CC)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
DPP4 P27487 2/20 0.39
KDM4E B2RXH2 3/20 0.38
PPID Q08752 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 1/20 0.36
EPHX2 P34913 1/20 0.36
NLRP3 Q96P20 1/20 0.35
MAPK1 P28482 1/20 0.35
PPIB P23284 1/20 0.35
PPIA P62937 1/20 0.35
PPIG Q13427 1/20 0.35
TSHR P16473 1/20 0.34
ELANE P08246 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL28873044 0.88 GAA (0.39) GAAMGAMSIMGAM2DPP4
SCHEMBL25857189 0.87 DPP4 (0.38) DPP4EPHX2TSHR
SCHEMBL23513290 0.83 GAA (0.35) GAAMGAMSIMGAM2DPP4
SCHEMBL17125039 0.81 TSHR (0.36) GAAMGAMSIMGAM2DPP4
SCHEMBL20987525 0.80 MEN1 (0.40) GAAPPIDALDH1A1EPHX2NLRP3
SCHEMBL25857225 0.79 DPP4 (0.36) DPP4ALDH1A1TSHR
SCHEMBL7434611 0.78 MAPT (0.41) GAAMGAMSIMGAM2KDM4E
SCHEMBL11766363 0.76 GAA (0.40) GAAMGAMSIMGAM2KDM4E
SCHEMBL7445187 0.76 GAA (0.41) GAAMGAMSIMGAM2KDM4E
SCHEMBL11290272 0.75 GAA (0.44) GAAMGAMSIMGAM2PPID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708337-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one G1 THERAPEUTICS, INC. (US) 2023-07-25 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-11708337-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one NDC1, SDC1, SDC2 GAA 1852/4885MGAM 4220/4885SI 1571/4885

“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.