SCHEMBL1567042

SCHEMBL1567042

CCOC(=O)C12CCC(C1)C(C(=O)O)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.34
SLC6A11 P48066 1/20 0.34
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
OPRM1 P35372 5/20 0.33
SLC22A1 O15245 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL1566496 0.81 MEN1 (0.33) MAPK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1566243 0.78 MAPK1 (0.33) OPRM1MAPK1SMN1; SMN2LMNAPOLB
SCHEMBL6513736 0.76 LMNA (0.44) MAPK1SMN1; SMN2LMNAPOLBGAA
SCHEMBL24165561 0.72 SLC6A12 (0.33) SLC6A12SLC6A11
SCHEMBL1566652 0.70 OPRM1 (0.40) OPRM1SLC22A1SMN1; SMN2OPRD1OPRK1
SCHEMBL17893420 0.69 ALDH1A1 (0.46) OPRM1SLC22A1SMN1; SMN2OPRD1OPRK1
SCHEMBL24165529 0.69 LMNA (0.37) MAPK1LMNAPOLBCYP3A4CYP2D6
SCHEMBL7689091 0.69 PSEN1 (0.38) PPM1BPTPN1PPP1CCOPRM1SLC22A1
SCHEMBL10293983 0.69 GRM4 (0.39) SLC6A12SLC6A11LMNAPOLBCYP2D6
SCHEMBL19357068 0.68 LMNA (0.49) LMNAPOLBCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305684-A1 Poycyloalkylpurines as adenosine receptor antagonists Biogen Idec MA Inc. (US) 2011-04-06 EP disclosed
US-20090221821-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2009-09-03 US disclosed
US-7579354-B2 Adenosine receptor antagonists and methods of making and using the same KIESMAN WILLIAM F 2009-08-25 US disclosed
EP-2070930-A1 Polycycloalkylpurines as adenosine receptor antagonists Biogen Idec MA, Inc. (US) 2009-06-17 EP disclosed
EP-1230243-B1 POYCYLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2009-03-04 EP disclosed
US-20080004293-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC. 2008-01-03 US disclosed
EP-1775297-A2 Adenosine receptor antagonists and methods of making and using the same Biogen Idec MA, Inc. (US) 2007-04-18 EP disclosed
EP-1230241-B1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2007-02-07 EP disclosed
US-20070015732-A1 Adenosine receptor antagonists and methods of making and using the same KIESMAN WILLIAM F 2007-01-18 US disclosed
US-20060252730-A1 Adenosine receptor antagonists and methods of making and using the same KIESMAN WILLIAM F 2006-11-09 US disclosed
US-20050222179-A1 Adenosine receptor antagonists and methods of making and using the same ENSINGER CAROL L 2005-10-06 US disclosed
US-20040067966-A1 Adenosine receptor antagonists and methods of making and using the same BIOGEN, INC. 2004-04-08 US disclosed
US-20030225038-A1 Adenosine receptor antagonists and methods of making and using the same BIOGEN, INC. 2003-12-04 US disclosed
US-6649600-B1 2,6-Dioxo or dithioxy-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo derivatives; highly potent and selective diuretics BIOGEN, INC. 2003-11-18 US disclosed
US-6605600-B1 Diuretics BIOGEN, INCORPORATED 2003-08-12 US disclosed
EP-1230241-A2 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2002-08-14 EP disclosed
EP-1230243-A1 POYCYLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 2002-08-14 EP disclosed
WO-2001034610-A1 POLYCYCLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 2001-05-17 WO disclosed
WO-2001034604-A2 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2001-05-17 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 (7 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-20050222179-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 SLC6A12 3619/4885SLC6A11 2642/4885PPM1B 3155/4885
US-20090221821-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME ADORA1, ADORA2A, ADORA3 SLC6A12 3619/4885SLC6A11 2642/4885PPM1B 3155/4885
US-20060252730-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 SLC6A12 3619/4885SLC6A11 2642/4885PPM1B 3155/4885
US-20070015732-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 SLC6A12 3619/4885SLC6A11 2642/4885PPM1B 3155/4885
US-20040067966-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 SLC6A12 4021/4885SLC6A11 3039/4885PPM1B 2759/4885
US-20030225038-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 SLC6A12 4054/4885SLC6A11 3062/4885PPM1B 2908/4885
US-20080004293-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME ADORA1, ADORA2A, ADORA3 SLC6A12 3619/4885SLC6A11 2642/4885PPM1B 3155/4885

“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.