SCHEMBL5460811

SCHEMBL5460811

CC(C)(C)OC(=O)N[C@H](CC=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
CTSS P25774 3/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.49
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL717324 1.00 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL29465735 1.00 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL1784108 1.00 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL14168735 0.89 CTSK (0.50) CTSKCTSSMAPTATMCTSL
SCHEMBL29952714 0.86 PPARG (0.44) CTSKCTSSMAPTATMPPARA
SCHEMBL29955950 0.86 PPARG (0.44) CTSKCTSSMAPTATMPPARA
SCHEMBL3372679 0.86 AAK1 (0.43) CTSKCTSSMAPTATM
SCHEMBL14436617 0.86 CTSK (0.50) CTSKCTSSMAPTATMCTSL
SCHEMBL3378239 0.86 CTSK (0.46) CTSKCTSSMAPTATM
SCHEMBL27674504 0.86 CTSK (0.46) CTSKCTSSMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2020236688-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed
US-10266481-B2 Organocatalytic asymmetric synthesis of antidepressants COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-04-23 US disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 US disclosed
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 US disclosed
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists CHAMBERS MARK S 2007-05-24 US disclosed
US-7153868-B2 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. 2006-12-26 US disclosed
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2004-01-01 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 (5 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-10266481-B2 Organocatalytic asymmetric synthesis of antidepressants TPH1, NAT1, TPH2 CTSK 1993/4885CTSS 1160/4885MAPT 1248/4885
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists KCNH3, KCNH2, KCNK3 CTSK 1464/4885CTSS 1448/4885MAPT 4809/4885
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity ACKR3, CCR5, CCR7 CTSK 1449/4885CTSS 1570/4885MAPT 4701/4885
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists TACR2, KCNK3, KCNH3 CTSK 1109/4885CTSS 1763/4885MAPT 4857/4885
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use ALDH1A1, ABAT, ALDH18A1 CTSK 3616/4885CTSS 3610/4885MAPT 2479/4885

“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.