SCHEMBL1022347

SCHEMBL1022347

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.40
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TPSAB1 Q15661 2/20 0.36
TPSD1 Q9BZJ3 2/20 0.36
TPSG1 Q9NRR2 2/20 0.36
GSR P00390 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GABRR1 P24046 2/20 0.32
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL3662436 1.00 CPB2 (0.40) CPB2MEN1GAAKMT2ATPSAB1
SCHEMBL3662433 1.00 CPB2 (0.40) CPB2MEN1GAAKMT2ATPSAB1
SCHEMBL2211497 0.95 CPB2 (0.42) CPB2MEN1GAAKMT2ATPSAB1
SCHEMBL1039473 0.95 CPB2 (0.42) CPB2MEN1GAAKMT2ATPSAB1
SCHEMBL7416589 0.95 CPB2 (0.42) CPB2MEN1GAAKMT2ATPSAB1
Ethylenediamine SCHEMBL17669759 0.94 CPB2 (0.41) CPB2MEN1GAAKMT2ATPSAB1
Ethylenediamine SCHEMBL17669758 0.94 CPB2 (0.41) CPB2MEN1GAAKMT2ATPSAB1
Glycerin SCHEMBL28491442 0.92 CPB2 (0.34) CPB2MEN1GAAKMT2ATPSAB1
SCHEMBL20743469 0.85 MEN1 (0.38) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL20743467 0.85 MEN1 (0.38) MEN1GAAKMT2ATPSAB1TPSD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN claimed
EP-2285772-B1 NEW CLASS OF CATIONIC LIPIDS FOR TRANSPORTING ACTIVE AGENTS INTO CELLS OZ BIOSCIENCES SAS (FR) 2022-07-13 EP disclosed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN disclosed
EP-2743270-B1 Alkylamino-substituted dicyanopyridines and their amino acid ester prodrugs BAYER IP GMBH (DE) 2016-12-21 EP disclosed
EP-2222686-B1 POLYVIOLOGEN BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS MEDTRONIC MINIMED INC (US) 2015-06-17 EP disclosed
EP-2379540-B1 DIPEPTOID PRODRUGS AND THE USE THEREOF BAYER IP GMBH (DE) 2014-10-22 EP disclosed
US-20140296515-A1 ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-02 US disclosed
US-8772498-B2 Alkylamine-substituted dicyanopyridine and amino acid ester prodrugs thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-08 US disclosed
EP-2743270-A1 Alkylamino-substituted dicyanopyridines and their amino acid ester prodrugs Bayer Intellectual Property GmbH (DE) 2014-06-18 EP disclosed
US-8741834-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-03 US disclosed
EP-0869937-A4 NOVEL AMIDE-BASED CATIONIC LIPIDS PROMEGA BIOSCIENCES INC (US) 2004-07-21 EP disclosed
US-6638529-B2 Lipid copound for use in the transfer macromolecules in cells GENTA INCORPORATED 2003-10-28 US disclosed
US-20020156237-A1 Novel amide-based cationic lipids PROMEGA BIOSCIENCES, INC. 2002-10-24 US disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
US-6339173-B1 FOR INTERFERING WITH PROTEIN EXPRESSION IN A CELL; USEFUL IN LIPID AGGREGATES FOR THE DELIVERY OF MACROMOLECULES INTO CELLS PROMEGA BIOSCIENCES, INC. 2002-01-15 US disclosed
EP-0869937-A1 NOVEL AMIDE-BASED CATIONIC LIPIDS GENTA INCORPORATED (US) 1998-10-14 EP disclosed
WO-1997003939-A9 NOVEL AMIDE-BASED CATIONIC LIPIDS 1997-05-22 WO disclosed
WO-1997003939-A1 NOVEL AMIDE-BASED CATIONIC LIPIDS GENTA INCORPORATED (US) 1997-02-06 WO disclosed
US-4795595-A Taurine derivatives FARMITALIA CARLO ERBA S.P.A. (IT) 1989-01-03 US disclosed
EP-0001774-A1 Derivatives of BPTI (basic pancreatic trypsin-inhibitor), process for their preparation and their use as medicines BAYER AG (DE) 1979-05-16 EP 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 (2 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-20020156237-A1 Novel amide-based cationic lipids CETP, SGMS1, CERT1 CPB2 2834/4885MEN1 2351/4885GAA 3532/4885
US-20140296515-A1 ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF AADAT, DDC, DNPEP CPB2 867/4885MEN1 1799/4885GAA 1613/4885

“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.