SCHEMBL595168

SCHEMBL595168

CNC(=O)COC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
HTR2A P28223 1/20 0.54
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
MGLL Q99685 2/20 0.49
PKM P14618 2/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS2 P35354 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL15997205 0.84 PTGS2 (0.59) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL4642193 0.84 HTR2A (0.58) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL7778609 0.82 ALDH1A1 (0.66) MAPTALDH1A1POLBPKMKMT2A
SCHEMBL15987340 0.82 HTR2A (0.56) TDP1HTR2ABCL9CTNNB1MAPT
SCHEMBL12858126 0.82 BCL9 (0.60) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL2597257 0.81 HTR2A (0.55) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL278663 0.80 BCL9 (0.62) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL4644859 0.80 BCL9 (0.58) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL12529909 0.80 HTR2A (0.54) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL409598 0.80 HTR2A (0.59) HTR2ABCL9CTNNB1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011081205-A1 1,3,4-OXADIAZOLE-2-CARBOXAMIDE COMPOUND 一般社団法人ファルマIP (JP) 2011-07-07 WO claimed
US-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-EVENTIS (FR) 2010-06-03 US claimed
CN-100497326-C 1-piperazine-and 1-homopiperazine-carboxylate derivatives, preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2009-06-10 CN claimed
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed
CN-1922161-A 1-piperazine-and 1-homopiperazine-carboxylate derivatives, preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2007-02-28 CN claimed
US-20060293310-A1 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders SANOFI-AVENTIS (FR) 2006-12-28 US claimed
US-8114866-B2 Derivatives of 1-piperazine- and 1-homopiperazine-carboxylates, preparation method thereof and use of same as inhibitors of the FAAH enzyme SANOFI-AVENTIS (FR) 2012-02-14 US disclosed
CN-101538254-B 1-piperazine-and 1-homopiperazine-carboxylate derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2011-07-27 CN disclosed
WO-2011081205-A1 1,3,4-OXADIAZOLE-2-CARBOXAMIDE COMPOUND 一般社団法人ファルマIP (JP) 2011-07-07 WO disclosed
US-7973042-B2 Derivatives of alkylpiperazine- and alkylhomopiperazine-carboxylates, preparation method thereof and use of same as fatty acid amido hydrolase enzyme inhibitors SANOFI-AVENTIS (FR) 2011-07-05 US disclosed
US-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-EVENTIS (FR) 2010-06-03 US disclosed
US-7687503-B2 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders SANOFI-AVENTIS (FR) 2010-03-30 US disclosed
CN-101538254-A 1-piperazine-and 1-homopiperazine-carboxylate derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2009-09-23 CN disclosed
US-7482346-B2 Derivatives of alkylpiperazine and alkylhomopiperazine-carboxylates, preparation method thereof and use of same as fatty acid amido hydrolase enzyme inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP disclosed
CN-1922161-A 1-piperazine-and 1-homopiperazine-carboxylate derivatives, preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2007-02-28 CN disclosed
US-20070027141-A1 DERIVATIVES OF ALKYLPIPERAZINE AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-02-01 US disclosed
US-20060293310-A1 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders SANOFI-AVENTIS (FR) 2006-12-28 US disclosed
EP-1701946-A2 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2006-09-20 EP disclosed
WO-2005070910-A2 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-AVENTIS (FR) 2005-08-04 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 (3 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-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME FAAH, FAAH2, CNR1 TDP1 2917/4885HTR2A 33/4885BCL9 4319/4885
US-20060293310-A1 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders FAAH, FAAH2, APEH TDP1 2003/4885HTR2A 73/4885BCL9 4319/4885
US-20070027141-A1 DERIVATIVES OF ALKYLPIPERAZINE AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 TDP1 3862/4885HTR2A 316/4885BCL9 2671/4885

“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.