SCHEMBL1016798

SCHEMBL1016798

CC(C)(C)OC(=O)N1CCc2c(cnn2-c2ccc(Cl)nn2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.51
SLC34A1 Q06495 2/20 0.48
ESR2 Q92731 1/20 0.47
PDK2 Q15119 3/20 0.46
NR1H2 P55055 1/20 0.44
MAPT P10636 2/20 0.42
MAPK14 Q16539 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3839129 0.83 MAPK14 (0.47) HPGDSPDK2MAPK14LMNAHPGD
SCHEMBL18446204 0.82 PDK2 (0.67) HPGDSESR2PDK2MAPTLMNA
SCHEMBL1778530 0.80 MAPK14 (0.67) HPGDSMAPTMAPK14MEN1KMT2A
SCHEMBL10095072 0.80 HPGDS (0.54) HPGDSSLC34A1ESR2PDK2NR1H2
SCHEMBL1779430 0.79 PDK2 (0.66) HPGDSESR2PDK2NR1H2MAPT
SCHEMBL16836285 0.79 SLC34A1 (0.50) HPGDSSLC34A1ESR2PDK2NR1H2
SCHEMBL10095073 0.79 GPR119 (0.53) HPGDSSLC34A1ESR2PDK2NR1H2
SCHEMBL20792752 0.78 PDK2 (0.69) HPGDSSLC34A1ESR2PDK2MAPT
SCHEMBL16836123 0.78 NR1H2 (0.58) HPGDSSLC34A1ESR2PDK2NR1H2
SCHEMBL10095071 0.77 HPGDS (0.53) HPGDSSLC34A1ESR2PDK2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
EP-1998620-B1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2011-01-12 EP disclosed
EP-1998620-B1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2011-01-12 EP disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 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-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 HPGDS 539/4885SLC34A1 1875/4885ESR2 1905/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 HPGDS 539/4885SLC34A1 1875/4885ESR2 1905/4885

“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.