SCHEMBL16037814

SCHEMBL16037814

CC(C)(C)OC(=O)NCC1(C#N)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.42
CTSS P25774 8/20 0.41
CTSL P07711 4/20 0.41
CTSB P07858 3/20 0.41
CTSD P07339 2/20 0.41
CTSK P43235 6/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL25317380 0.90 CTSL (0.43) HCRTR2CTSSCTSLCTSBCTSK
SCHEMBL23070898 0.83 CTSL (0.39) HCRTR2CTSSCTSLCTSBCTSK
SCHEMBL21937632 0.79 HCRTR2 (0.49) HCRTR2CTSSCTSLCTSBCTSD
SCHEMBL15461388 0.79 MAPT (0.35) CTSSCTSKMAOATSHRGAA
SCHEMBL16846897 0.78 HCRTR2 (0.45) HCRTR2CTSSCTSLCTSBCTSD
SCHEMBL29620653 0.78 RORC (0.42) HCRTR2CTSSCTSLCTSKMEN1
SCHEMBL23220045 0.78 RORC (0.42) HCRTR2CTSSCTSLCTSKMEN1
SCHEMBL21747533 0.77 DPP4 (0.35) MAOAALDH1A1TSHRGAA
SCHEMBL31434462 0.77 KCNH2 (0.39) HCRTR2CTSLCTSKMEN1KMT2A
SCHEMBL24682789 0.77 HCRTR2 (0.44) HCRTR2CTSSCTSLCTSBCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403467-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2021-12-30 US disclosed
EP-3613737-B1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2021-12-29 EP disclosed
CN-107987075-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2020-12-01 CN disclosed
US-20200331907-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2020-10-22 US disclosed
CN-108727363-B Novel cyclin dependent kinase CDK9 inhibitor 劲方医药科技(上海)有限公司 2020-06-19 CN disclosed
EP-3613737-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 Genfleet Therapeutics (Shanghai) Inc. (CN) 2020-02-26 EP disclosed
EP-3415514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2018-12-19 EP disclosed
US-20180354952-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2018-12-13 US disclosed
US-10081628-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2018-09-25 US disclosed
EP-2970257-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-05-30 EP disclosed
US-20170008891-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2017-01-12 US disclosed
EP-2970257-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2016-01-20 EP disclosed
US-20150299197-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2015-10-22 US disclosed
WO-2014158528-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2014-10-02 WO disclosed
US-20140275082-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2014-09-18 US disclosed