SCHEMBL3318199

SCHEMBL3318199

CCNC(=O)CCC(=O)NC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.54
LMNA P02545 1/20 0.48
MCL1 Q07820 2/20 0.44
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CASP2 P42575 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL22095994 0.90 FAAH (0.61) FAAHLMNAMCL1KMT2ATSHR
SCHEMBL5909462 0.89 FAAH (0.64) FAAHMCL1KMT2ATSHRL3MBTL1
SCHEMBL19477898 0.88 FAAH (0.72) FAAHLMNAKMT2ACASP2HDAC3
SCHEMBL19731479 0.85 FAAH (0.57) FAAHKMT2ATSHRCASP2
SCHEMBL3660629 0.83 LMNA (0.63) LMNAMCL1POLBTSHRMMP2
SCHEMBL11173477 0.83 FAAH (0.84) FAAHKMT2ACASP2
SCHEMBL12931100 0.83 FAAH (0.44) FAAHLMNAMCL1KMT2APOLB
SCHEMBL23735527 0.81 ALDH1A1 (0.50) FAAHLMNAMCL1KMT2APOLB
SCHEMBL4404972 0.81 MCL1 (0.46) FAAHLMNAMCL1KMT2AMMP1
SCHEMBL21904602 0.81 FAAH (0.42) FAAHLMNAMCL1KMT2APOLB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029983-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTI-HBV ACTIVITY VALEANT RESEARCH & DEVELOPMENT (US) 2009-01-29 US claimed
US-7465742-B2 Heterocyclic compounds having anti-HBV activity VRX HOLDCO LLC 2008-12-16 US claimed
US-20060189643-A1 Novel heterocyclic compounds having anti-HBV activity BAUSCH+LOMB OPS B.V. (NL) 2006-08-24 US claimed
US-11858959-B2 Glycyrrhetinic acid derivatives for use in treating hyperkalemia ARDELYX, INC. (US) 2024-01-02 US disclosed
EP-2384318-B1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX INC (US) 2017-11-15 EP disclosed
US-20150336892-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC (US) 2015-11-26 US disclosed
WO-2014169094-A2 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC (US) 2014-10-16 WO disclosed
WO-2014029983-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2014-02-27 WO disclosed
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-7795298-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2010-09-14 US disclosed
US-20090029983-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTI-HBV ACTIVITY VALEANT RESEARCH & DEVELOPMENT (US) 2009-01-29 US disclosed
US-7465742-B2 Heterocyclic compounds having anti-HBV activity VRX HOLDCO LLC 2008-12-16 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed
US-20060189643-A1 Novel heterocyclic compounds having anti-HBV activity BAUSCH+LOMB OPS B.V. (NL) 2006-08-24 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 (8 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-20070093429-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 FAAH 4654/4885LMNA 404/4885MCL1 129/4885
US-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 FAAH 596/4885LMNA 4093/4885MCL1 4269/4885
US-20150336892-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP2 FAAH 949/4885LMNA 3770/4885MCL1 4512/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 FAAH 596/4885LMNA 4093/4885MCL1 4269/4885
US-20090029983-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTI-HBV ACTIVITY HCCS, HAVCR2, HMBS FAAH 3842/4885LMNA 1552/4885MCL1 1197/4885
US-20060189643-A1 Novel heterocyclic compounds having anti-HBV activity HCCS, HAVCR2, HMBS FAAH 3842/4885LMNA 1552/4885MCL1 1197/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 FAAH 596/4885LMNA 4093/4885MCL1 4269/4885
US-11858959-B2 Glycyrrhetinic acid derivatives for use in treating hyperkalemia HSD11B2, HSD11B1, NR3C2 FAAH 3842/4885LMNA 3455/4885MCL1 4136/4885

“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.