SCHEMBL3603591

SCHEMBL3603591

CC(C)(C)OC(=O)N1CCCN1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.64
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EPHX1 P07099 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PREP P48147 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL13523486 0.96 CTSK (0.59) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL3603586 0.92 CTSK (0.72) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL900812 0.87 CTSK (0.67) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL14335386 0.82 CTSK (0.45) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL9470186 0.81 CTSK (0.65) CTSKUSP2SMN1; SMN2HPGDMEN1
Hydrochloric Acid SCHEMBL14335352 0.80 CTSK (0.44) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL1190545 0.80 CTSK (0.59) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL6023110 0.79 CTSK (0.43) CTSKUSP2SMN1; SMN2HPGDCHRM2
SCHEMBL6203340 0.78 CTSK (0.45) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL18997752 0.78 CTSK (0.57) CTSKUSP2SMN1; SMN2HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3650464-B1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND SHANGPHARMA INNOVATION INC (US) 2025-11-05 EP disclosed
US-11427615-B2 Peptide compound and application thereof, and composition containing peptide compound XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2022-08-30 US disclosed
US-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SENDA BIOSCIENCES INC (US) 2022-02-10 US disclosed
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 US disclosed
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US disclosed
EP-1971594-A2 SUBSTITUTED PYRAZALONES Biogen Idec MA Inc. (US) 2008-09-24 EP disclosed
WO-2007059359-A2 SUBSTITUTED PYRAZALONES BIOGEN IDEC MA INC. (US) 2007-05-24 WO disclosed
US-5494889-A THIADIAZABICYCLOOCTANE AND THIADIAZABICYCLOOCTENE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1996-02-27 US disclosed
EP-0639196-A1 NEW HERBICIDES Novartis AG (CH) 1995-02-22 EP disclosed
WO-1992021684-A1 NEW HERBICIDES CIBA-GEIGY AG (CH) 1992-12-10 WO 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 (4 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-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SLC10A2, SLC10A1, BCAT2 CTSK 4241/4885USP2 1428/4885SMN1; SMN2 2918/4885
US-11427615-B2 Peptide compound and application thereof, and composition containing peptide compound KISS1R, VIP, NPY1R CTSK 1962/4885USP2 2873/4885SMN1; SMN2 3197/4885
US-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 CTSK 1737/4885USP2 4456/4885SMN1; SMN2 4777/4885
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R CTSK 1962/4885USP2 2873/4885SMN1; SMN2 3197/4885

“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.