SCHEMBL6900102

SCHEMBL6900102

CCOC(=O)[C@H]1CC[C@@H]1C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.47
PTPN1 P18031 1/20 0.47
PPP1CC P36873 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 3/20 0.44
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL10088039 1.00 PPM1B (0.47) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL1246430 1.00 PPM1B (0.47) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL6900672 1.00 PPM1B (0.47) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL16349313 0.97 PPM1B (0.46) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL1296897 0.92 ALDH1A1 (0.48) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL2705849 0.92 ALDH1A1 (0.48) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL2705851 0.92 ALDH1A1 (0.48) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL12943060 0.92 ALDH1A1 (0.48) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL8914013 0.92 ALDH1A1 (0.48) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL12988317 0.91 PPM1B (0.50) PPM1BPTPN1PPP1CCMAPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328120-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-03 US disclosed
US-9328120-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-03 US disclosed
US-20150025088-A1 6-CYCLOALKYL-PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 US disclosed
US-20150025088-A1 6-CYCLOALKYL-PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 US disclosed
US-8912201-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 US disclosed
US-8912201-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 US disclosed
US-20130040971-A1 6-CYCLOALKYL-PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-14 US disclosed
US-20130040971-A1 6-CYCLOALKYL-PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-14 US disclosed
US-20120202829-A1 6-Cycloalkyl-pyrazolopyrimidinones for the Treatment of CNS Disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-09 US disclosed
US-20120202829-A1 6-Cycloalkyl-pyrazolopyrimidinones for the Treatment of CNS Disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-09 US disclosed
US-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011018495-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 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 (4 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-20130040971-A1 6-CYCLOALKYL-PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE2A PPM1B 149/4885PTPN1 1706/4885PPP1CC 1387/4885
US-20120202829-A1 6-Cycloalkyl-pyrazolopyrimidinones for the Treatment of CNS Disorders PDE9A, PDE7A, PDE2A PPM1B 122/4885PTPN1 1668/4885PPP1CC 1603/4885
US-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BDNF, PSEN1, CHRNA5 PPM1B 1020/4885PTPN1 4170/4885PPP1CC 1126/4885
US-20150025088-A1 6-CYCLOALKYL-PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE2A PPM1B 122/4885PTPN1 1668/4885PPP1CC 1603/4885

“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.