SCHEMBL4550301

SCHEMBL4550301

CC(=O)N(C)CC(=O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.41
ALDH1A1 P00352 3/20 0.39
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
TSHR P16473 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM3 P20309 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL10145803 0.79 ALDH1A1 (0.36) ALDH1A1CHRNB2CHRNB4CHRNA4OPRM1
SCHEMBL19943771 0.78 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL29333999 0.77 MVD (0.42) CHRM1DPP4PREPFAPTSHR
SCHEMBL31047724 0.77 MVD (0.42) CHRM1DPP4PREPFAPTSHR
SCHEMBL29702696 0.77 MVD (0.42) CHRM1DPP4PREPFAPTSHR
SCHEMBL1634020 0.77
SCHEMBL13762889 0.76 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL13360774 0.76 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL13162304 0.76 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL30421635 0.76 ALDH1A1 (0.50) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
EP-3402785-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2018-11-21 EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20140295457-A1 GENE CLUSTER FOR BIOSYNTHESIS OF GRISELIMYCIN AND METHYLGRISELIMYCIN SANOFI (FR) 2014-10-02 US disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
EP-1513814-B1 NOVEL PIPERIDINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2010-03-17 EP disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7488752-B2 nor-seco himbacine derivatives; thrombosis, anticoagulants, anticancer agents; antiinflammatory agents; anticholesterol agents; cardiovascular disorders; antiarrhythmia agents; antiischemic agents; strokes; antiarthritic agents SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
EP-1669804-A2 Barrier film material and pattern formation method using the same Matsushita Electric Industries Co., Ltd. (JP) 2006-06-14 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 (6 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB CHRM1 2913/4885ALDH1A1 2467/4885DPP4 2444/4885
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CHRM1 453/4885ALDH1A1 256/4885DPP4 96/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CHRM1 142/4885ALDH1A1 1079/4885DPP4 1473/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 CHRM1 291/4885ALDH1A1 359/4885DPP4 2405/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CHRM1 453/4885ALDH1A1 256/4885DPP4 96/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD CHRM1 2215/4885ALDH1A1 4423/4885DPP4 4694/4885

“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.