SCHEMBL1017072

SCHEMBL1017072

COc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(C)cc1)CC2=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.58
PKM P14618 5/20 0.58
CD4 P01730 5/20 0.55
LMNA P02545 4/20 0.50
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
NPC1 O15118 1/20 0.49
PKLR P30613 1/20 0.49
RAB9A P51151 1/20 0.49
AKR1C3 P42330 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL4044050 0.92 RYR2 (0.57) RYR2PKMCD4LMNAPDE4B
SCHEMBL22451560 0.91 RYR2 (0.61) RYR2PKMCD4LMNAPDE4B
SCHEMBL10232038 0.89 CD4 (0.51) PKMCD4AKR1C3ALDH1A1POLB
SCHEMBL19216401 0.85 TSHR (0.51) RYR2PKMCD4LMNATSHR
SCHEMBL16793968 0.84 CD4 (0.47) PKMCD4AKR1C3ALDH1A1POLB
SCHEMBL3394766 0.84 ESR2 (0.55) PKMCD4AKR1C3ALDH1A1POLB
SCHEMBL3398104 0.83 CD4 (0.60) PKMCD4ALDH1A1SMN1; SMN2
SCHEMBL1016818 0.82 PKM (0.62) RYR2PKMCD4LMNANPC1
SCHEMBL19213974 0.81 CD4 (0.45) PKMCD4LMNASMN1; SMN2
SCHEMBL31287301 0.81 MEN1 (0.55) PKMCD4LMNAAKR1C3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES WESTFALISCHE WILHELMS-UNIVERSITAT MUNSTER (DE) 2018-09-06 US disclosed
EP-3344257-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2018-07-11 EP disclosed
US-20170224852-A1 BENZAZEPIN-1-OL-DERIVED PET LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY WESTFAELISCHE WILHELMS-UNIVERSITAET (DE) 2017-08-10 US disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
WO-2017036880-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2017-03-09 WO disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
WO-2010122134-A1 NR2B-SELECTIVE NMDA-RECEPTOR ANTAGONISTS Westfälische Wilhelms Universität Münster (DE) 2010-10-28 WO disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
EP-1998620-A4 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2009-09-02 EP disclosed
EP-1998620-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2008-12-10 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO 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 (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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET RYR2 1884/4885PKM 3110/4885CD4 2864/4885
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 RYR2 1859/4885PKM 1688/4885CD4 340/4885
US-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES GRIN1, GRIN2B, GRIN3B RYR2 616/4885PKM 4253/4885CD4 221/4885
US-20170224852-A1 BENZAZEPIN-1-OL-DERIVED PET LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY OPRK1, GRIN1, OPRL1 RYR2 2100/4885PKM 737/4885CD4 1453/4885

“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.