SCHEMBL2228223

SCHEMBL2228223

CCCCCCCC(CCCCCC)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.39
LMNA P02545 1/20 0.38
DNM1 Q05193 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL28810356 1.00 FDPS (0.39) FDPSLMNADNM1HRH3L3MBTL1
SCHEMBL15670951 1.00 FDPS (0.39) FDPSLMNADNM1HRH3L3MBTL1
SCHEMBL28809663 1.00 FDPS (0.39) FDPSLMNADNM1HRH3L3MBTL1
SCHEMBL14636358 1.00 FDPS (0.39) FDPSLMNADNM1HRH3L3MBTL1
SCHEMBL2012868 1.00 FDPS (0.39) FDPSLMNADNM1HRH3L3MBTL1
SCHEMBL12469943 1.00 FDPS (0.39) FDPSLMNADNM1HRH3L3MBTL1
SCHEMBL23251113 1.00 FDPS (0.39) FDPSLMNADNM1HRH3L3MBTL1
SCHEMBL14127423 1.00 FDPS (0.39) FDPSLMNADNM1HRH3L3MBTL1
SCHEMBL19441034 1.00 FDPS (0.39) FDPSLMNADNM1HRH3L3MBTL1
SCHEMBL12469789 1.00 FDPS (0.39) FDPSLMNADNM1HRH3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091497-B2 Pyrano[3,4-b]pyrazine kappa opioid receptor ligands for treating addiction, pruritus, pain, and inflammation THE ROCKEFELLER UNIVERSITY (US) 2021-08-17 US disclosed
US-20210179629-A1 PYRANO[3,4-b]PYRAZINE KAPPA OPIOID RECEPTOR LIGANDS FOR TREATING ADDICTION, PRURITUS, PAIN, AND INFLAMMATION THE ROCKEFELLER UNIVERSITY (US) 2021-06-17 US disclosed
CN-107074890-B Alkenyl (perfluoroalkyl) phosphinic acids 默克专利股份公司 2019-09-24 CN disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
EP-3207047-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID Merck Patent GmbH (DE) 2017-08-23 EP disclosed
WO-2016058668-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID MERCK PATENT GMBH (DE) 2016-04-21 WO disclosed
EP-2925768-A1 COBALTCOMPLEX SALTS Merck Patent GmbH (DE) 2015-10-07 EP disclosed
WO-2014082704-A1 COBALTCOMPLEX SALTS MERCK PATENT GMBH (DE) 2014-06-05 WO disclosed
CN-103687863-A Compounds containing alkyl-cyano-borate or alkyl-cyano-fluoroborate anions MERCK PATENT GMBH 2014-03-26 CN disclosed
WO-2011085967-A1 COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
US-7605271-B2 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD (JP) 2009-10-20 US disclosed
US-20060223995-A1 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-05 US disclosed
EP-1707265-A1 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-04 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 (4 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A FDPS 401/4885LMNA 2416/4885DNM1 2192/4885
US-11091497-B2 Pyrano[3,4-b]pyrazine kappa opioid receptor ligands for treating addiction, pruritus, pain, and inflammation OPRK1, OPRD1, OPRL1 FDPS 3395/4885LMNA 4875/4885DNM1 3951/4885
US-20210179629-A1 PYRANO[3,4-b]PYRAZINE KAPPA OPIOID RECEPTOR LIGANDS FOR TREATING ADDICTION, PRURITUS, PAIN, AND INFLAMMATION OPRK1, OPRD1, OPRL1 FDPS 3395/4885LMNA 4875/4885DNM1 3951/4885
US-20060223995-A1 Superhigh purity ionic liquid SLC7A5, SLC7A1, SLC43A1 FDPS 4271/4885LMNA 2206/4885DNM1 2959/4885

“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.