SCHEMBL7725852

SCHEMBL7725852

CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
NAMPT P43490 1/20 0.40
USP30 Q70CQ3 2/20 0.39
TERT O14746 1/20 0.39
IDO1 P14902 1/20 0.39
UCHL1 P09936 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
ROCK2 O75116 1/20 0.39
PARP1 P09874 1/20 0.39
PDK1 Q15118 1/20 0.38

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
SCHEMBL5190569 1.00 BACE1 (0.47) BACE1FABP5FABP7GPR119JAK2
SCHEMBL29695390 1.00 BACE1 (0.47) BACE1FABP5FABP7GPR119JAK2
SCHEMBL30185798 1.00 BACE1 (0.47) BACE1FABP5FABP7GPR119JAK2
SCHEMBL31210309 1.00 BACE1 (0.47) BACE1FABP5FABP7GPR119JAK2
SCHEMBL7054647 0.96 BACE1 (0.45) BACE1FABP5FABP7GPR119JAK2
SCHEMBL31740710 0.96 BACE1 (0.45) BACE1FABP5FABP7GPR119JAK2
SCHEMBL13837003 0.96 BACE1 (0.45) BACE1FABP5FABP7GPR119JAK2
SCHEMBL656294 0.96 BACE1 (0.45) BACE1FABP5FABP7GPR119JAK2
SCHEMBL7160206 0.89 BACE1 (0.42) BACE1IDO1UCHL1
SCHEMBL12572922 0.88 PDK1 (0.48) BACE1GPR119NAMPTTERTIDO1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368625-A1 PIPERAZINES Grünenthal GmbH (DE) 2025-12-04 US disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
EP-2970390-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2019-11-06 EP disclosed
EP-2970390-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2019-11-06 EP disclosed
EP-2830624-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9879046-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-30 US disclosed
US-9879046-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-30 US disclosed
US-9879046-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-30 US disclosed
US-20170369530-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2017-12-28 US disclosed
US-20170369530-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2017-12-28 US disclosed
WO-2013148478-A1 THROMBIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-10-03 WO disclosed
US-7923004-B2 useful in the production of a library of pyrazole derivatives for biological screening; Hepatitis C virus (HCV); ease of crystallization, yield, stability, solubility, hygroscopicity and flowability of the resulting bulk drug XTL BIOPHARMACEUTICALS LTD. (IL) 2011-04-12 US disclosed
US-7923004-B2 useful in the production of a library of pyrazole derivatives for biological screening; Hepatitis C virus (HCV); ease of crystallization, yield, stability, solubility, hygroscopicity and flowability of the resulting bulk drug XTL BIOPHARMACEUTICALS LTD. (IL) 2011-04-12 US disclosed
US-7731949-B2 2010-06-08 US disclosed
US-7731949-B2 2010-06-08 US disclosed
US-20090048226-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048226-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090041723-A1 Compounds and methods for treatment of HCV XTL BIOPHARMACEUTICALS LTD. (IL) 2009-02-12 US disclosed
US-20090041723-A1 Compounds and methods for treatment of HCV XTL BIOPHARMACEUTICALS LTD. (IL) 2009-02-12 US disclosed
US-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 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-20090048226-A1 Inhibitors of caspases CASP1, APAF1, IRF3 BACE1 98/4885FABP5 1614/4885FABP7 3485/4885
US-20170369530-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 BACE1 1840/4885FABP5 1197/4885FABP7 1558/4885
US-20090041723-A1 Compounds and methods for treatment of HCV HAVCR2, EIF2AK2, MAVS BACE1 4439/4885FABP5 2809/4885FABP7 4635/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 BACE1 4464/4885FABP5 424/4885FABP7 508/4885
US-20250368625-A1 PIPERAZINES SSTR4, SSTR5, SSTR2 BACE1 2555/4885FABP5 501/4885FABP7 474/4885

“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.