SCHEMBL4437592

SCHEMBL4437592

O=C(O)c1ccc2c(c1)ncn2C1CC1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.86
HSD17B10 Q99714 1/20 0.86
HPGD P15428 9/20 0.65
ALDH1A1 P00352 4/20 0.65
NPC1 O15118 1/20 0.65
HCAR3 P49019 5/20 0.58
FGFR1 P11362 1/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MGLL Q99685 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL29784271 1.00 GAA (0.86) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL4288972 0.93 GAA (1.00) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL31208320 0.90 GAA (0.76) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL30497269 0.89 GAA (0.70) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL6840229 0.88 GAA (0.72) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL22862457 0.86 GAA (0.66) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL30497313 0.84 GAA (0.75) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL30158973 0.82 GAA (0.61) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL28432074 0.80 GAA (0.70) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL14723167 0.79 GAA (0.68) GAAHSD17B10HPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
CN-101610761-A 1-amino methyl-L-phenyl-cyclohexane-derivant as the DDP-IV inhibitor NOVARTIS AG (CH) 2009-12-23 CN disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG GAA 1492/4885HSD17B10 4616/4885HPGD 4094/4885
US-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 GAA 86/4885HSD17B10 872/4885HPGD 2114/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG GAA 1492/4885HSD17B10 4616/4885HPGD 4094/4885

“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.