SCHEMBL1829940

SCHEMBL1829940

[CH2]CC(=O)CCC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
TP53 P04637 1/20 0.42
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
EPHX1 P07099 2/20 0.36
ALPL P05186 1/20 0.36

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
SCHEMBL4438928 0.91
SCHEMBL11670009 0.83 HPGD (0.57) HPGDTP53HSD11B1ALDH1A1ATM
SCHEMBL24363715 0.79 HPGD (0.59) HPGDTP53HSD11B1ALDH1A1GAA
SCHEMBL1841803 0.79 HPGD (0.48) HPGDTP53HSD11B1ALDH1A1ATM
SCHEMBL13749008 0.77 HSD11B1 (0.47) HPGDTP53HSD11B1ALDH1A1ATM
SCHEMBL8395158 0.77 HPGD (0.47) HPGDTP53HSD11B1ALDH1A1ATM
SCHEMBL11460238 0.76 HPGD (0.50) HPGDTP53HSD11B1ALDH1A1ATM
SCHEMBL11466260 0.76 HPGD (0.50) HPGDTP53HSD11B1ALDH1A1ATM
SCHEMBL9159626 0.76 HPGD (0.50) HPGDTP53HSD11B1ALDH1A1KMT2A
SCHEMBL11652994 0.76 HPGD (0.50) HPGDTP53HSD11B1ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1944292-B9 8-substituted-2,6-methano-3-benzazocines and 3-substituted morphinanes as opioid receptor binding agents RENSSELAER POLYTECH INST (US) 2016-07-06 EP claimed
EP-1944292-B1 8-substituted-2,6-methano-3-benzazocines and 3-substituted morphinanes as opioid receptor binding agents RENSSELAER POLYTECH INST (US) 2016-02-17 EP claimed
EP-2318372-B9 LARGE SUBSTITUENT, NON-PHENOLIC AMINE OPIOIDS RENSSELAER POLYTECH INST (US) 2015-05-06 EP claimed
EP-2318372-B1 LARGE SUBSTITUENT, NON-PHENOLIC AMINE OPIOIDS RENSSELAER POLYTECH INST (US) 2015-01-14 EP claimed
US-20140107143-A1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECHNIC INSTITUTE (US) 2014-04-17 US claimed
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 claimed
US-8642615-B2 Methods of using 8-carboxamido-2,6-methano-3-benzazocines RENSSELAER POLYTECHNIC INSTITUTE (US) 2014-02-04 US claimed
US-20120302591-A1 METHODS OF USING 8-CARBOXAMIDO-2,6-METHANO-3-BENZAZOCINES RENSSELAER POLYTECHNIC INSTITUTE (US) 2012-11-29 US claimed
US-8252929-B2 8-carboxamido-2,6-methano-3-benzazocines RENSSELAER POLYTECHNIC INSTITUTE (US) 2012-08-28 US claimed
US-8026252-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2011-09-27 US claimed
WO-2009023567-A1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-02-19 WO claimed
EP-1944292-A1 8-substituted-2,6-methano-3-benzazocines and 3-substituted morphinanes as opioid receptor binding agents RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-07-16 EP claimed
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 claimed
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 claimed
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 claimed
EP-1353909-B1 8-SUBSTITUTED-2,6-METHANO-3-BENZAZOCINES AND 3-SUBSTITUTED MORPHINANES AS OPIOIDRECEPTOR BINDING AGENTS RENSSELAER POLYTECH INST (US) 2005-04-06 EP claimed
EP-1359146-A2 8-substituted-2,6-methano-3-benzazocines and 3-substituted morphinanes as opioid receptor binding agents Rensselaer Polytechnic Institute (US) 2003-11-05 EP claimed
EP-1353909-A2 8-SUBSTITUTED-2,6-METHANO-3-BENZAZOCINES AND 3-SUBSTITUTED MORPHINANES AS OPIOIDRECEPTOR BINDING AGENTS Rensselaer Polytechnic Institute (US) 2003-10-22 EP claimed
US-20030187009-A1 Analgesics, diarrhea, anticonvulsants, antitussive agents or drug abuse therapy RENSSELAER POLYTECHNIC INSTITUTE 2003-10-02 US claimed
WO-2002036573-A2 8- SUBSTITUTED-2, 6-METHANO-3-BENZAZOCINES AND 3-SUBSTITUTED MORPHINANES AS OPIOID RECEPTOR BINDING AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 2002-05-10 WO claimed

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-20070021457-A1 analgesics, antidiarrheal agents, anticonvulsants, antitussives, anti-addiction; 8-Substituted-2,6-methano-3-benzazocines OPRM1, OPRK1, OPRL1 HPGD 1037/4885TP53 4869/4885HSD11B1 2433/4885
US-20140107143-A1 QUATERNARY OPIOID CARBOXAMIDES OPRK1, OPRM1, OPRD1 HPGD 725/4885TP53 4883/4885HSD11B1 2302/4885
US-20030187009-A1 Analgesics, diarrhea, anticonvulsants, antitussive agents or drug abuse therapy OPRM1, DDO, OPRK1 HPGD 625/4885TP53 4884/4885HSD11B1 2073/4885
US-20120302591-A1 METHODS OF USING 8-CARBOXAMIDO-2,6-METHANO-3-BENZAZOCINES HRH4, HRH3, HRH2 HPGD 1196/4885TP53 4871/4885HSD11B1 3086/4885

“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.