SCHEMBL1126445

SCHEMBL1126445

CCCCOC(=O)NC(=N)N

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.52
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
EPHX1 P07099 1/20 0.48
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44

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
SCHEMBL6866097 0.84 EPHX1 (0.52) ACHERAB9AMAPTNPSR1EPHX1
SCHEMBL4451188 0.84 RAB9A (0.61) ACHERAB9AMAPTNPSR1EPHX1
SCHEMBL590532 0.83 EPHX1 (0.59) ACHERAB9AMAPTNPSR1EPHX1
SCHEMBL8196152 0.81 EPHX1 (0.48) ACHERAB9AMAPTEPHX1NPC1
SCHEMBL3395703 0.81 RAB9A (0.49) ACHERAB9AMAPTNPSR1EPHX1
SCHEMBL17198918 0.80 RAB9A (0.43) ACHERAB9AMAPTNPSR1EPHX1
SCHEMBL9197261 0.79 EPHX1 (0.55) ACHERAB9AMAPTNPSR1EPHX1
SCHEMBL1579477 0.79
Methane SCHEMBL4457769 0.79 RAB9A (0.51) ACHERAB9AMAPTNPSR1EPHX1
SCHEMBL6687894 0.78 EPHX1 (0.60) ACHERAB9AMAPTNPSR1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163633-B Antimicrobial polymers capable of supramolecular assembly 国际商业机器公司 2024-05-24 CN disclosed
CN-114163633-A Antimicrobial polymers capable of supramolecular assembly 国际商业机器公司 2022-03-11 CN disclosed
CN-111491980-B Antimicrobial polymers capable of supramolecular assembly 国际商业机器公司 2022-03-11 CN disclosed
CN-111491980-A Antimicrobial polymers capable of supramolecular assembly 国际商业机器公司 2020-08-04 CN disclosed
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
EP-2321274-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-05-18 EP disclosed
EP-2310012-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIMIDINE DERIVATIVES Janssen Pharmaceutica N.V. (BE) 2011-04-20 EP disclosed
EP-2282995-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS Novartis AG (CH) 2011-02-16 EP disclosed
WO-2010005783-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 WO disclosed
WO-2010002774-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 WO disclosed
EP-1448187-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2004-08-25 EP disclosed
WO-2003047512-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003048127-A1 AROMATIC HETEROCYCLIC NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2003-06-12 WO disclosed
WO-2002014349-A2 NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2002-02-21 WO disclosed
EP-1133488-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-09-19 EP disclosed
EP-1015438-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1015438-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-05 EP disclosed
WO-2000031067-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-06-02 WO disclosed
WO-1999011637-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-03-11 WO disclosed
US-5859295-A Canavanine analogs and their use as chemotherapeutic agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1999-01-12 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 (1 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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors NHERF1, SLC9A1, SLC9A5 ACHE 4466/4885RAB9A 698/4885MAPT 4665/4885

“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.