SCHEMBL22301025

SCHEMBL22301025

CC(=O)N1CCOC(CCNC(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ CTSD P07339 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CACNA1H O95180 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ DRD2 P14416 2/20 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
SCHEMBL22301380 0.89 ENPP2 (0.39) PDK1MEN1KMT2AGAAHCRTR2
SCHEMBL31200524 0.82 USP2 (0.44) PDK1MEN1KMT2AALDH1A1ENPP2
SCHEMBL15795452 0.78 ENPP2 (0.65) ENPP2
SCHEMBL19182909 0.77 HCRTR2 (0.40) PDK1MEN1KMT2AGAAHCRTR2
SCHEMBL3545847 0.77 HCRTR2 (0.40) PDK1MEN1KMT2AGAAHCRTR2
SCHEMBL4229109 0.77 HCRTR2 (0.40) PDK1MEN1KMT2AGAAHCRTR2
SCHEMBL31616237 0.77 USP2 (0.47) PDK1MEN1KMT2AEPHX1ALDH1A1
Trifluoroacetic Acid SCHEMBL31200711 0.77 USP2 (0.39) PDK1ENPP2USP2SMN1; SMN2
SCHEMBL590365 0.76 TDP1 (0.49) MEN1KMT2AGAAHCRTR2EPHX1
SCHEMBL6044416 0.76 MEN1 (0.46) MEN1KMT2AGAAEPHX1TDP1

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
US-11053260-B2 Tri-cycle compound and applications thereof FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-07-06 — — US disclosed
EP-3587420-B1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-03-31 — — EP disclosed
US-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2020-08-06 — — 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-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF SLC10A1, NR1H4, HAVCR2 PDK1 812/4885MEN1 2347/4885KMT2A 3253/4885
US-11053260-B2 Tri-cycle compound and applications thereof SLC10A1, NR1H4, HAVCR2 PDK1 812/4885MEN1 2347/4885KMT2A 3253/4885

“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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