SCHEMBL21021650

SCHEMBL21021650

C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)[N+](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.40
▸ ACE P12821 6/20 0.40
▸ PEPD P12955 3/20 0.40
▸ REN P00797 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ XPNPEP1 Q9NQW7 1/20 0.39
▸ FKBP1A P62942 3/20 0.39
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL17955686 0.85 HSD17B10 (0.44) HSD17B10ACEPEPDRENKDM4E
SCHEMBL7323258 0.83 DPP4 (0.50) HSD17B10ACEPEPDRENKDM4E
SCHEMBL10768669 0.83 HSD17B10 (0.42) HSD17B10ACEPEPDRENKDM4E
SCHEMBL7270677 0.83 HSD17B10 (0.42) HSD17B10ACEPEPDRENKDM4E
SCHEMBL5435528 0.82 DPP4 (0.46) HSD17B10ACEPEPDRENXPNPEP1
SCHEMBL7281828 0.81 HSD17B10 (0.40) HSD17B10ACEPEPDRENKDM4E
SCHEMBL7206198 0.81 DPP4 (0.52) HSD17B10ACEPEPDRENKDM4E
Oxalic Acid SCHEMBL10872013 0.81 DPP4 (0.48) HSD17B10ACEPEPDRENKDM4E
SCHEMBL15223614 0.81 ACE (0.49) HSD17B10ACEPEPDRENKDM4E
SCHEMBL10556672 0.80 ACE (0.66) HSD17B10ACEPEPDRENKDM4E

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-10865183-B2 Compounds, reagents, and uses thereof METABOLON, INC. (US) 2020-12-15 — — US disclosed
US-20190152907-A1 COMPOUNDS, REAGENTS, AND USES THEREOF METABOLON, INC. 2019-05-23 — — 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-10865183-B2 Compounds, reagents, and uses thereof REN, ATP6V1B1, PKD1 HSD17B10 625/4885ACE 316/4885PEPD 301/4885
US-20190152907-A1 COMPOUNDS, REAGENTS, AND USES THEREOF REN, ATP6V1B1, PKD1 HSD17B10 625/4885ACE 316/4885PEPD 301/4885

“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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