SCHEMBL212033

SCHEMBL212033

CC(C)(C)OC(=O)ON1CCC(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
CTSK P43235 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PREP P48147 1/20 0.32
DGAT1 O75907 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PTPN2 P17706 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
SCHEMBL14763728 0.89 CHRM2 (0.40) CHRM2CHRM1CHRM3HPGDRECQL
SCHEMBL7284763 0.89 CHRM2 (0.40) CHRM2CHRM1CHRM3HPGDRECQL
SCHEMBL1935995 0.84 CHRM2 (0.34) CHRM2CHRM1CHRM3HPGDRECQL
SCHEMBL18166970 0.82 CHRM2 (0.38) CHRM2CHRM1CHRM3HPGDGPR119
SCHEMBL14764516 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3HPGDUSP2
SCHEMBL2326335 0.81 EPHX1 (0.40) CHRM2CHRM1CHRM3HPGDRECQL
SCHEMBL373788 0.81 SMN1; SMN2 (0.43) CHRM1HPGDRECQLSMN1; SMN2HRH3
SCHEMBL1133757 0.81 NR1H2 (0.43) CHRM2CHRM1CHRM3HPGDRECQL
SCHEMBL955955 0.80 GPR119 (0.35) CHRM2CHRM1CHRM3HPGDHRH3
SCHEMBL4434089 0.80 HPGD (0.39) CHRM2CHRM1CHRM3HPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 EP disclosed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 EP disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
EP-2380891-B1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-12-11 EP disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
EP-2400962-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 WO disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
EP-0937723-A1 Novel sulfonamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed
EP-0846115-A1 NEW CYCLIC GUANIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS Roche Diagnostics GmbH (DE) 1998-06-10 EP disclosed
EP-0842941-A1 Novel phosphonates, process for their preparation and pharmaceutical compositions Roche Diagnostics GmbH (DE) 1998-05-20 EP disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed
WO-1997008165-A1 NEW CYCLIC GUANIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1997-03-06 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 (1 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 CHRM2 1228/4885CHRM1 424/4885CHRM3 1297/4885

“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.