SCHEMBL161338

SCHEMBL161338

CCCCCN1CCNCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GBA1 P04062 1/20 0.41
SOD3 P08294 2/20 0.40
ALOX5 P09917 2/20 0.39
MGLL Q99685 3/20 0.38
ALDH1A1 P00352 2/20 0.38
FAAH O00519 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
GNAI3 P08754 4/20 0.37
GNAO1 P09471 4/20 0.37

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
Hydrochloric Acid SCHEMBL1662690 0.98 MEN1 (0.42) MEN1KMT2AGBA1SOD3ALOX5
Bromide SCHEMBL28435713 0.98 MEN1 (0.42) MEN1KMT2AGBA1SOD3ALOX5
SCHEMBL1583492 0.98 GBA1 (0.43) MEN1KMT2AGBA1SOD3ALOX5
SCHEMBL6566169 0.98 GBA1 (0.43) MEN1KMT2AGBA1SOD3ALOX5
Hydrochloric Acid SCHEMBL7528001 0.97 SOD3 (0.44) MEN1KMT2AGBA1SOD3ALOX5
Hydrochloric Acid SCHEMBL6479261 0.97 SOD3 (0.44) MEN1KMT2AGBA1SOD3ALOX5
SCHEMBL1583265 0.95 MEN1 (0.49) MEN1KMT2AGBA1SOD3ALOX5
Hypochlorous Acid SCHEMBL6479265 0.94 GBA1 (0.43) MEN1KMT2AGBA1SOD3ALOX5
Bromide SCHEMBL28431073 0.93 MEN1 (0.47) MEN1KMT2AGBA1SOD3ALOX5
SCHEMBL1583740 0.87 MEN1 (0.35) MEN1KMT2ASOD3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424869-B1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2016-06-22 EP disclosed
CN-104277040-A Acyl piperazinone substituent-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
CN-104277040-A Acyl piperazinone substituent-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 US disclosed
EP-2254884-B1 3-ALKYL-PIPERAZINE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-05-01 EP disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
US-7998963-B2 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-08-16 US disclosed
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed
EP-2254884-A2 3-ALKYL-PIPERAZINE DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2010-12-01 EP disclosed
US-20090209553-A1 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-08-20 US disclosed
WO-2009101018-A2 3-ALKYL-PIPERAZINE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 WO disclosed
US-6458935-B1 LABEL FPTASE IN ASSAYS, WHETHER CELL-BASED, TISSUE-BASED OR IN WHOLE ANIMAL. THE TRACERS CAN ALSO BE USED IN COMPETITIVE BINDING ASSAYS TO OBTAIN INFORMATION ON THE INTERACTION OF UNLABELED FTIS WITH FPTASE. MERCK & CO., INC. 2002-10-01 US disclosed
WO-2000078363-A1 RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 2000-12-28 WO disclosed
US-6160118-A Process for the synthesis of substituted piperazinones via Mitsunobu reaction MERCK & CO., INC. (US) 2000-12-12 US disclosed
WO-2000001678-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED PIPERAZINONES VIA MITSUNOBU REACTION MERCK & CO., INC. (US) 2000-01-13 WO disclosed
US-4880934-A Preparation of hydroxyalkylpiperazinones by reacting a 2,3-dihydroxy-1,4-dioxane with a hydroalkyldiamine THE DOW CHEMICAL COMPANY (US) 1989-11-14 US disclosed
US-4814447-A Preparation of hydroxyalkylpiperazinones by reacting an alkylene oxide with decahydropyrazino[2,3-b]pyrazine or its substituted derivatives THE DOW CHEMICAL COMPANY (US) 1989-03-21 US disclosed
US-4814443-A Preparation of hydroxyalkylpiperazinones by reacting glyoxal with hydroxyalkyldiamines THE DOW CHEMICAL COMPANY (US) 1989-03-21 US disclosed
EP-0011693-A1 N-trifluoromethane-sulfonylaminophenyl-substituted N-heterocycles, their preparation, compositions containing them and their use in regulating plant growth CIBA-GEIGY AG (CH) 1980-06-11 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 (2 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-20090209553-A1 Arylpiperazine derivatives and uses thereof ADRA2C, AHR, CYP1A2 MEN1 3850/4885KMT2A 1747/4885GBA1 1782/4885
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 MEN1 4170/4885KMT2A 4184/4885GBA1 2342/4885

“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.