SCHEMBL25857189

SCHEMBL25857189

CCC1(NCC(=O)OC)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.38
CYP3A4 P08684 2/20 0.38
EPHX2 P34913 1/20 0.38
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TET2 Q6N021 1/20 0.34
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL17125039 0.94 TSHR (0.36) DPP4CYP3A4EPHX2TSHRHSD17B10
SCHEMBL25857186 0.87 GAA (0.43) DPP4EPHX2TSHR
SCHEMBL28576192 0.84 TSHR (0.39) DPP4CYP3A4EPHX2TSHRHSD17B10
SCHEMBL25857225 0.81 DPP4 (0.36) DPP4TSHRCETP
SCHEMBL23513339 0.81 DPP4 (0.35) DPP4CYP3A4EPHX2TSHRHSD17B10
SCHEMBL15620816 0.79 TSHR (0.36) DPP4CYP3A4EPHX2TSHRHSD17B10
SCHEMBL23513275 0.78 DPP4 (0.34) DPP4CYP3A4EPHX2TSHRHSD17B10
Bromide SCHEMBL28562616 0.77 DPP4 (0.33) DPP4CYP3A4EPHX2TSHRHSD17B10
SCHEMBL28873044 0.76 GAA (0.39) DPP4EPHX2TSHR
SCHEMBL4159695 0.74 CYP3A4 (0.40) CYP3A4EPHX2TSHRHSD17B10TET2

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 DPP4 1311/4885CYP3A4 2779/4885EPHX2 3603/4885

“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.