SCHEMBL1201014

SCHEMBL1201014

CC(C)(C)OC(=O)CC1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
SLC6A1 P30531 4/20 0.43
SLC6A11 P48066 3/20 0.43
SLC6A13 Q9NSD5 3/20 0.43
GABRA5 P31644 2/20 0.43
GABRB2 P47870 2/20 0.43
SLC6A12 P48065 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRR1 P24046 1/20 0.43
GABRA4 P48169 1/20 0.43
CPN1 P15169 2/20 0.41
CPB2 Q96IY4 2/20 0.41
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM1A O60341 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL1202016 1.00 EPHX1 (0.43) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL1202098 1.00 EPHX1 (0.43) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL1515352 0.90 SLC6A1 (0.55) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL14378439 0.90 SLC6A1 (0.55) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL16553630 0.90 SLC6A1 (0.55) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL25816991 0.84 KMT2A (0.49) EPHX1SLC6A1SLC6A11SLC6A13CPN1
SCHEMBL1201892 0.84 KMT2A (0.49) EPHX1SLC6A1SLC6A11SLC6A13CPN1
SCHEMBL3766740 0.83 SLC6A1 (0.34) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL8692868 0.82 CHRNB2 (0.38) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL1038236 0.81 EPHX1 (0.50) EPHX1SLC6A1SLC6A11SLC6A13GABRA5

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
CN-109966294-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-07-05 CN disclosed
CN-109897038-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-06-18 CN disclosed
CN-108175749-A The solid dispersions of melt extrusion containing cell death inducer 艾伯维爱尔兰无限公司 2018-06-19 CN disclosed
CN-103282025-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2018-01-02 CN disclosed
CN-104876927-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2017-06-23 CN disclosed
CN-105979950-A Pyrrolotriazine kinase inhibitors 百时美施贵宝公司 2016-09-28 CN disclosed
CN-104906100-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2015-09-16 CN disclosed
CN-104876927-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LAB 2015-09-02 CN disclosed
CN-102448959-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE BAHAMAS LTD 2015-06-17 CN disclosed
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 CN disclosed
US-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-22 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-7947686-B2 Substituted pyrazolo[4,3-c]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-24 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-22 US disclosed
EP-1968976-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-17 EP disclosed
WO-2007068619-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 (6 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-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K3, MAP3K1, MAP3K19 EPHX1 2752/4885SLC6A1 4622/4885SLC6A11 4669/4885
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP EPHX1 535/4885SLC6A1 2158/4885SLC6A11 2958/4885
US-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 EPHX1 966/4885SLC6A1 2524/4885SLC6A11 3019/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP EPHX1 594/4885SLC6A1 2351/4885SLC6A11 3377/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP EPHX1 535/4885SLC6A1 2158/4885SLC6A11 2958/4885
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 EPHX1 2752/4885SLC6A1 4622/4885SLC6A11 4669/4885

“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.