SCHEMBL799719

SCHEMBL799719

O=C(O)CCCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
FAAH O00519 1/20 0.47
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
CHRM4 P08173 1/20 0.43
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8606944 0.93 KMT2A (0.48) KMT2AFAAHCHRM4FABP7FABP5
SCHEMBL31515414 0.92 L3MBTL1 (0.45) KMT2AFAAHHDAC3HDAC4HDAC1
SCHEMBL793840 0.92 L3MBTL1 (0.45) KMT2AFAAHHDAC3HDAC4HDAC1
SCHEMBL12291188 0.89 FAAH (0.44) KMT2AFAAHHDAC3HDAC4HDAC1
SCHEMBL30966194 0.88 L3MBTL1 (0.43) KMT2AFAAHHDAC3HDAC4HDAC1
SCHEMBL31677325 0.88 L3MBTL1 (0.43) KMT2AFAAHHDAC3HDAC4HDAC1
SCHEMBL15353779 0.87 L3MBTL1 (0.47) KMT2AFAAHCHRM4L3MBTL1ALDH1A1
SCHEMBL21250120 0.86 ACHE (0.48) KMT2AFAAHCHRM4L3MBTL1ALDH1A1
SCHEMBL31370165 0.86 KMT2A (0.46) KMT2ACHRM4FABP7FABP5L3MBTL1
SCHEMBL31369726 0.86 KMT2A (0.46) KMT2ACHRM4FABP7FABP5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913769-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2021-02-09 US disclosed
US-20190177365-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2019-06-13 US disclosed
US-10017536-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2018-07-10 US disclosed
US-20170153257-A1 METHODS OF ESTIMATING LOGD OF TAGGED COMBINATORIAL LIBRARY COMPOUNDS DICE MOLECULES SV, LLC 2017-06-01 US disclosed
WO-2017062973-A2 METHODS OF ESTIMATING LOGD OF TAGGED COMBINATORIAL LIBRARY COMPOUNDS DICE MOLECULES SV, LLC (US) 2017-04-13 WO disclosed
US-20160376308-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2016-12-29 US disclosed
US-9334305-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2016-05-10 US disclosed
US-20140357579-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF VIFOR FRESENIUS MEDICAL CARE RENAL PHARMA LTD (CH) 2014-12-04 US disclosed
CN-101535336-B Synthetic phthalamides and dimers thereof CARA THERAPEUTICS INC 2014-04-02 CN disclosed
US-8536131-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2013-09-17 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 US disclosed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US disclosed
WO-2008060552-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2008-05-22 WO disclosed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP disclosed
US-20070224607-A1 Methods for identifying compounds of interest using encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-09-27 US disclosed
US-20070224607-A1 Methods for identifying compounds of interest using encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-09-27 US disclosed
WO-2007053358-A2 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES PRAECIS PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO 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 (7 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-20160376308-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 KMT2A 2815/4885FAAH 63/4885HDAC3 2865/4885
US-20170153257-A1 METHODS OF ESTIMATING LOGD OF TAGGED COMBINATORIAL LIBRARY COMPOUNDS PLOD3, JUND, MRPL21 KMT2A 4291/4885FAAH 2947/4885HDAC3 2227/4885
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 KMT2A 48/4885FAAH 1330/4885HDAC3 8/4885
US-10913769-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 KMT2A 2815/4885FAAH 63/4885HDAC3 2865/4885
US-20140357579-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 KMT2A 2815/4885FAAH 63/4885HDAC3 2865/4885
US-10017536-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 KMT2A 2815/4885FAAH 63/4885HDAC3 2865/4885
US-20190177365-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 KMT2A 2815/4885FAAH 63/4885HDAC3 2865/4885

“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.