SCHEMBL2776487

SCHEMBL2776487

CCNNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.46
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 2/20 0.40
GAA P10253 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
CTSK P43235 4/20 0.38
CTSS P25774 1/20 0.38
DGAT1 O75907 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3252218 0.83 CA1 (0.43) APLNRCA1CA7CA12CA14
SCHEMBL19362876 0.82 APLNR (0.46) APLNRCA1CA7CA12CA14
SCHEMBL3177106 0.80 APLNR (0.44) APLNRCA1CA7CA12CA14
SCHEMBL284141 0.80 APLNR (0.55) APLNRCA1CA7CA12CA14
SCHEMBL1620621 0.79 HDAC3 (0.46) APLNRCA1CA7CA12CA14
SCHEMBL3164804 0.78 APLNR (0.43) APLNRCA1CA7CA12CA14
SCHEMBL2087588 0.78 TDP1 (0.52) APLNRCA1CA7CA12CA14
SCHEMBL9176308 0.78 CA2 (0.43) APLNRCA1CA7CA12CA14
SCHEMBL22816921 0.78 APLNR (0.43) APLNRCA1CA7CA12CA14
SCHEMBL1885244 0.78 TDP1 (0.47) APLNRCA1CA7CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same CREDIA JAPAN CO., LTD. (JP) 2008-06-12 US claimed
EP-1318142-B1 T-BUTOXYCARBONYLAMINOETHYLAMINE FOR THE SYNTHESIS OF PNA MONOMER UNITS, AMINO ACID DERIVATIVES, INTERMEDIATES THEREOF, AND PROCESSES FOR PRODUCTIONS OF THEM CREDIA JAPAN CO LTD (JP) 2007-04-11 EP claimed
US-20050187402-A1 T-butoxycarbonylaminoethylamine for the synthesis of PNA monomer units, amino acid derivatives, intermediates thereof, and processes for productions of them CREDIA JAPAN CO., LTD. (JP) 2005-08-25 US claimed
US-20040101839-A1 Novel functional peptide nucleic acid monomer and process for producing the same CREDIA JAPAN CO., LTD. (JP) 2004-05-27 US claimed
US-20040039224-A1 T-butoxycarbonylaminoethylamine for the synthesis of pna monomer units, amino acid derivatives, intermediates thereof, and processes for productions of them CREDIA JAPAN CO., LTD. (JP) 2004-02-26 US claimed
EP-1357112-A1 NOVEL FUNCTIONAL PEPTIDE NUCLEIC ACID MONOMER AND PROCESS FOR PRODUCING THE SAME Applied Biosystems Japan Ltd. (JP) 2003-10-29 EP claimed
EP-1318142-A1 T-BUTOXYCARBONYLAMINOETHYLAMINE FOR THE SYNTHESIS OF PNA MONOMER UNITS, AMINO ACID DERIVATIVES, INTERMEDIATES THEREOF, AND PROCESSES FOR PRODUCTIONS OF THEM Applied Biosystems Japan Ltd. (JP) 2003-06-11 EP claimed
US-20240279221-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHROEDINGER INC (US) 2024-08-22 US disclosed
EP-4346815-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Schrödinger, Inc. (US) 2024-04-10 EP disclosed
CN-117715642-A Heterocyclic compounds and methods of use 薛定谔公司 2024-03-15 CN disclosed
CN-110505874-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2023-09-26 CN disclosed
CN-112624938-B Novel method for synthesizing ethyl hydrazine dihydrochloride 南开大学 2022-12-30 CN disclosed
WO-2022251497-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2022-12-01 WO disclosed
EP-0969840-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2001-02-28 EP disclosed
EP-0969840-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2000-01-12 EP disclosed
US-5932606-A Pyrazinone, pyridinone, piperidine and pyrrolidine thrombin inhibitors MERCK & CO., INC. (US) 1999-08-03 US disclosed
US-5902819-A Triazole derivatives MERCK SHARP & DOHME LTD. (GB) 1999-05-11 US disclosed
WO-1998042342-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-10-01 WO disclosed
US-5587478-A BONDING TO OLIGONUCLEOTIDES, DRUG DELIVERY, THERAPHY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-12-24 US disclosed
US-5510362-A VASOCONSTRUCTION MERCK, SHARP AND DOHME LIMITED (GB) 1996-04-23 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 (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-20040101839-A1 Novel functional peptide nucleic acid monomer and process for producing the same NSUN3, NSUN2, RNGTT APLNR 487/4885CA1 2420/4885CA7 2214/4885
US-20050187402-A1 T-butoxycarbonylaminoethylamine for the synthesis of PNA monomer units, amino acid derivatives, intermediates thereof, and processes for productions of them BCAT1, BCAT2, RNGTT APLNR 1866/4885CA1 1059/4885CA7 2159/4885
US-20040039224-A1 T-butoxycarbonylaminoethylamine for the synthesis of pna monomer units, amino acid derivatives, intermediates thereof, and processes for productions of them BCAT1, BCAT2, RNGTT APLNR 2803/4885CA1 648/4885CA7 1254/4885
US-20240279221-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE APC, RCC2, CDC37 APLNR 3824/4885CA1 2860/4885CA7 1893/4885
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same NSUN3, RNGTT, NSUN2 APLNR 129/4885CA1 3208/4885CA7 3271/4885

“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.