SCHEMBL132609

SCHEMBL132609

COc1ccc(C(=O)N(C)C)cc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.48
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BACE1 P56817 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL14059590 0.87 ERN1 (0.48) ERN1SLC6A2SLC6A4ALDH1A1CYP2C9
SCHEMBL6409033 0.82 CYP2C9 (0.66) SLC6A2SLC6A4ALDH1A1CYP2C9CYP2C19
SCHEMBL29948203 0.81 CA1 (0.67) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL130793 0.81 CA1 (0.67) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL12775737 0.79 MAPK1 (0.57) ERN1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL30740888 0.79 MAPT (0.60) ERN1ALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL1808835 0.79 MAPT (0.60) ERN1ALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL12062763 0.79 TAS1R3 (0.49) ERN1SLC6A2SLC6A4ALDH1A1CYP2C9
SCHEMBL11702564 0.78 ALDH1A1 (0.69) ERN1SLC6A2SLC6A4ALDH1A1CYP2C9
SCHEMBL8325433 0.78 HTT (0.67) ERN1SLC6A2SLC6A4ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272754-B1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2019-05-29 EP disclosed
US-9884828-B2 Substituted cinnolines as inhibitors of LRRK2 kinase activity IMAGO PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884828-B2 Substituted cinnolines as inhibitors of LRRK2 kinase activity IMAGO PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
EP-3272754-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2018-01-24 EP disclosed
EP-2855483-B1 PYRROLOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2017-10-25 EP disclosed
EP-2948451-B1 SUBSTITUTED PURINONE COMPOUNDS NOVARTIS AG (CH) 2017-07-12 EP disclosed
EP-2948451-B1 SUBSTITUTED PURINONE COMPOUNDS NOVARTIS AG (CH) 2017-07-12 EP disclosed
EP-3064502-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2016-09-07 EP disclosed
US-9403827-B2 Substituted purinone compounds NOVARTIS AG (CH) 2016-08-02 US disclosed
US-9403827-B2 Substituted purinone compounds NOVARTIS AG (CH) 2016-08-02 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
EP-1979341-A1 TRISUBSTITUTED AMINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB ERN1 968/4885SLC6A2 1191/4885SLC6A4 1347/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB ERN1 968/4885SLC6A2 1191/4885SLC6A4 1347/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB ERN1 992/4885SLC6A2 1359/4885SLC6A4 1594/4885

“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.