SCHEMBL23872313

SCHEMBL23872313

CCN[C@H](CCCNC(N)=O)C(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.35
▸ DPP7 Q9UHL4 2/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ FOLH1 Q04609 2/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ RRM1 P23921 1/20 0.30
▸ EPHX1 P07099 1/20 0.30

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
SCHEMBL24172604 1.00 C3AR1 (0.35) C3AR1DPP7SIRT6SIRT1FOLH1
SCHEMBL22800674 0.95 SIRT6 (0.37) C3AR1DPP7SIRT6SIRT1FOLH1
SCHEMBL20104622 0.88 NPY4R (0.35) DPP7SIRT6SIRT1SMN1; SMN2
SCHEMBL24015397 0.86 FURIN (0.36) C3AR1DPP7SIRT6SIRT1SMN1; SMN2
SCHEMBL19101872 0.86 FURIN (0.36) C3AR1DPP7SIRT6SIRT1SMN1; SMN2
SCHEMBL27410441 0.83 C3AR1 (0.48) C3AR1FOLH1CTDSP1
SCHEMBL9069536 0.83 C3AR1 (0.48) C3AR1FOLH1CTDSP1
SCHEMBL24172621 0.83 C3AR1 (0.36) C3AR1DPP7SIRT6SIRT1FOLH1
SCHEMBL22702612 0.82 C3AR1 (0.36) C3AR1DPP7SIRT6SIRT1FOLH1
SCHEMBL13993614 0.82 C3AR1 (0.36) C3AR1DPP7SIRT6SIRT1FOLH1

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-20210300962-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2021-09-30 — — 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-20210300962-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF CYP21A2, CYP46A1, CYP17A1 C3AR1 602/4885DPP7 2177/4885SIRT6 2972/4885

“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.

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