SCHEMBL8208490

SCHEMBL8208490

CC(C)Cc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.55
DRD4 P21917 10/20 0.53
DRD3 P35462 10/20 0.53
DRD2 P14416 9/20 0.53
HTR1A P08908 2/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
HTR2A P28223 1/20 0.50
ADRA1B P35368 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MMP12 P39900 1/20 0.48
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
HTR1D P28221 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
SCHEMBL8246699 0.88 PARP1 (0.71) PARP1DRD4DRD3DRD2MMP12
SCHEMBL13185386 0.87 PARP1 (0.55) PARP1DRD4DRD3DRD2HTR1A
SCHEMBL2056366 0.83 PARP1 (0.77) PARP1DRD4DRD3DRD2HTR1A
SCHEMBL8195715 0.81 PARP1 (0.60) PARP1DRD4DRD3DRD2HTR1A
SCHEMBL3777130 0.80 DRD4 (0.55) PARP1DRD4DRD3DRD2HTR1A
SCHEMBL8191537 0.80 DRD4 (0.55) PARP1DRD4DRD3DRD2HTR1A
SCHEMBL6717655 0.80 DRD4 (0.50) PARP1DRD4DRD3DRD2HTR1A
SCHEMBL19326979 0.79 PARP1 (0.55) PARP1DRD4DRD3DRD2HTR1A
SCHEMBL9437792 0.78 DRD4 (0.53) PARP1DRD4DRD3DRD2HTR1A
SCHEMBL9437789 0.78 DRD4 (0.53) PARP1DRD4DRD3DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230072683-A1 PYRIDO-PYRIMIDIN DERIVATIVES AND PHARMACEUTICAL COMPOSITION, FOR USE IN PREVENTING OR TREATING PI3 KINASE RELATED DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2023-03-09 US disclosed
US-RE49080-E1 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2022-05-24 US disclosed
EP-3224252-B1 SUBSTITUTED OXAZOLE- AND THIAZOLE-BASED CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS II MEDIFRON DBT INC (KR) 2019-01-09 EP disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
US-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2017-02-16 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
WO-2008063667-A1 HETEROTRICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
WO-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US 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 (10 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-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 PARP1 4340/4885DRD4 1388/4885DRD3 1892/4885
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 PARP1 661/4885DRD4 4385/4885DRD3 4769/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 PARP1 496/4885DRD4 4737/4885DRD3 4343/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PARP1 326/4885DRD4 4609/4885DRD3 2353/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PARP1 326/4885DRD4 4609/4885DRD3 2353/4885
US-20230072683-A1 PYRIDO-PYRIMIDIN DERIVATIVES AND PHARMACEUTICAL COMPOSITION, FOR USE IN PREVENTING OR TREATING PI3 KINASE RELATED DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT PIK3CA, PDXK, PIK3CD PARP1 1572/4885DRD4 3311/4885DRD3 2907/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 PARP1 272/4885DRD4 4074/4885DRD3 1486/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 PARP1 176/4885DRD4 4871/4885DRD3 4674/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 PARP1 320/4885DRD4 4741/4885DRD3 4390/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PARP1 326/4885DRD4 4609/4885DRD3 2353/4885

“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.