SCHEMBL1506641

SCHEMBL1506641

O=C1Nc2cc3c(cc2C1=O)CCC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.52
BCHE P06276 1/20 0.46
TGM2 P21980 6/20 0.44
CASP3 P42574 4/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CDC25B P30305 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL17425970 0.72 CDC25B (0.56) CASP3CASP7CASP9CDC25BMAOA
SCHEMBL1589486 0.68 CES1 (0.57) CES1BCHETGM2CASP3MAOA
SCHEMBL734206 0.68 CES1 (1.00) CES1BCHETGM2MAOAMAOB
SCHEMBL15638608 0.68 CES1 (0.57) CES1BCHETGM2CASP3MAOA
SCHEMBL29758482 0.68 CES1 (0.57) CES1BCHETGM2CASP3MAOA
SCHEMBL2267095 0.68 CES1 (0.71) CES1BCHETGM2CASP3MAOA
SCHEMBL4737998 0.68 CES1 (0.71) CES1BCHETGM2CASP3MAOA
SCHEMBL16939654 0.68 CDC25B (0.64) CES1CDC25BMAOAMAOBGRIN2D
SCHEMBL3330307 0.67 CES1 (0.50) CES1BCHETGM2CASP3CASP1
SCHEMBL5787017 0.67 CES1 (0.50) CES1BCHETGM2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
EP-2479175-A1 Compounds and methods for treating dyslipidemia Eli Lilly and Company (US) 2012-07-25 EP disclosed
EP-2479175-A1 Compounds and methods for treating dyslipidemia Eli Lilly and Company (US) 2012-07-25 EP disclosed
EP-1761522-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2011-10-12 EP disclosed
EP-1761522-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2011-10-12 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-7829567-B2 Imino-indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-09 US disclosed
US-7786108-B2 Compounds and method for treating dyslipidemia ELI LILLY AND COMPANY (US) 2010-08-31 US disclosed
US-7786108-B2 Compounds and method for treating dyslipidemia ELI LILLY AND COMPANY (US) 2010-08-31 US disclosed
US-7786108-B2 Compounds and method for treating dyslipidemia ELI LILLY AND COMPANY (US) 2010-08-31 US disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
EP-1659121-A1 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-05-24 EP disclosed
WO-2006002342-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-01-05 WO disclosed
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 WO disclosed
US-6864277-B2 1,3-dihydro-2H-indol-2-one derivatives, method for preparing same and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-08 US disclosed
EP-1296976-B1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2005-01-26 EP disclosed
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin SANOFI-AVENTIS (FR) 2003-08-28 US disclosed
EP-1296976-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2003-04-02 EP disclosed
WO-2001098295-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-12-27 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 (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-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin AVPR1B, AVPR1A, AVPR2 CES1 2598/4885BCHE 4106/4885TGM2 4585/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A CES1 3456/4885BCHE 4418/4885TGM2 4772/4885

“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.