SCHEMBL2455360

SCHEMBL2455360

C=C(C(N)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 3/20 0.52
WDR5 P61964 1/20 0.52
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
DHODH Q02127 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PTPN1 P18031 1/20 0.47
GSK3B P49841 1/20 0.47
LMNA P02545 2/20 0.46
CDC25B P30305 1/20 0.46
ATM Q13315 1/20 0.46
FFAR1 O14842 1/20 0.46
CYP1A2 P05177 1/20 0.46
HIF1A Q16665 1/20 0.46
PDCD1 Q15116 1/20 0.45

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
SCHEMBL524788 0.87 MAPT (0.56) SMN1; SMN2MAPTKDM4EL3MBTL1LMNA
SCHEMBL1450228 0.84 PARP10 (0.39) SMN1; SMN2MAPTL3MBTL1LMNAHPGD
SCHEMBL22206291 0.83 ALDH1A1 (0.58) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1
SCHEMBL36308 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MAPTKDM4ERAB9ANPC1
SCHEMBL8154868 0.82 KMO (0.58) MAPTDHODHL3MBTL1ERCC5FEN1
SCHEMBL5781080 0.82 MAP4K4 (0.50) SMN1; SMN2MAPTMKNK1MKNK2KDM4E
SCHEMBL28305277 0.81 MKNK1 (0.71) MKNK1MKNK2RAB9ANPC1LMNA
SCHEMBL1033882 0.80 TSHR (0.57) SMN1; SMN2
SCHEMBL4275896 0.79 SMN1; SMN2 (0.52) SMN1; SMN2MAPTWDR5KDM4ERAB9A
Trimethylammonium SCHEMBL11762680 0.79 EGFR (0.52) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160257677-A1 LARGE SUBSTITUTENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2016-09-08 US disclosed
US-9156821-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-10-13 US disclosed
US-20150051194-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-02-19 US disclosed
US-8901148-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2014-12-02 US disclosed
EP-1924559-B1 8-CARBOXAMIDO-SUBSTITUTED-2 , 6-METHANO-3-BENZAZOCINES AND 3 - CARBOXAMIDO- SUBSTITUTED MORPHANES AS OPIOID RECEPTOR BINDING AGENTS RENSSELAER POLYTECH INST (US) 2014-04-16 EP disclosed
US-20130345251-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2013-12-26 US disclosed
US-8541586-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2013-09-24 US disclosed
EP-2266959-B1 8-carboxamido-substituted-2, 6-methano-3-benzazocines and 3-carboxamido-substituted morphanes as opioid receptor binding agents RENSSELAER POLYTECH INST (US) 2013-05-01 EP disclosed
US-20110306603-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2011-12-15 US disclosed
US-8026252-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2011-09-27 US disclosed
EP-2266959-A1 8-carboxamido-substituted-2, 6-methano-3-benzazocines and 3-carboxamido-substituted morphanes as opioid receptor binding agents RENSSELAER POLYTECHNIC INSTITUTE (US) 2010-12-29 EP disclosed
US-20090247562-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-10-01 US disclosed
US-7557119-B2 analgesics, antidiarrheal agents, anticonvulsants, antitussives, anti-addiction; 8-Substituted-2,6-methano-3-benzazocines RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-07-07 US disclosed
EP-1924559-A2 8-CARBOXAMIDO-SUBSTITUTED-2 , 6-METHANO-3-BENZAZOCINES AND 3 - CARBOXAMIDO- SUBSTITUTED MORPHANES AS OPIOID RECEPTOR BINDING AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-05-28 EP disclosed
WO-2007014137-A2 8-CARBOXAMIDO-SUBSTITUTED-2 , 6-METHANO-3-BENZAZOCINES AND 3 - CARBOXAMIDO- SUBSTITUTED MORPHANES AS OPIOID RECEPTOR BINDING AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-02-01 WO disclosed
US-20070021457-A1 analgesics, antidiarrheal agents, anticonvulsants, antitussives, anti-addiction; 8-Substituted-2,6-methano-3-benzazocines RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-01-25 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 (6 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-20090247562-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 SMN1; SMN2 1703/4885MAPT 1644/4885WDR5 2487/4885
US-20130345251-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 SMN1; SMN2 1703/4885MAPT 1644/4885WDR5 2487/4885
US-20070021457-A1 analgesics, antidiarrheal agents, anticonvulsants, antitussives, anti-addiction; 8-Substituted-2,6-methano-3-benzazocines OPRM1, OPRK1, OPRL1 SMN1; SMN2 2384/4885MAPT 2796/4885WDR5 2851/4885
US-20150051194-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 SMN1; SMN2 1703/4885MAPT 1644/4885WDR5 2487/4885
US-20160257677-A1 LARGE SUBSTITUTENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRM1, OPRK1, SIGMAR1 SMN1; SMN2 1933/4885MAPT 803/4885WDR5 2977/4885
US-20110306603-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 SMN1; SMN2 1703/4885MAPT 1644/4885WDR5 2487/4885

“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.