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SCHEMBL6854629

SCHEMBL6854629

CC(C)(C)OC(=O)NCC(O)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ PCSK9 Q8NBP7 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ADRB2 P07550 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 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
SCHEMBL30015389 1.00 SERPINE1 (0.40) SERPINE1MEN1GAAKMT2ATDP1
SCHEMBL25400155 1.00 SERPINE1 (0.40) SERPINE1MEN1GAAKMT2ATDP1
SCHEMBL4040364 0.88 SERPINE1 (0.38) SERPINE1MEN1GAAKMT2ATDP1
SCHEMBL4040354 0.88 SERPINE1 (0.38) SERPINE1MEN1GAAKMT2ATDP1
SCHEMBL755781 0.85 MEN1 (0.47) MEN1GAAKMT2ATDP1KDM4E
SCHEMBL16711537 0.85 MEN1 (0.40) SERPINE1MEN1GAAKMT2ATDP1
SCHEMBL25809213 0.84 SERPINE1 (0.39) SERPINE1MEN1GAAKMT2ATDP1
SCHEMBL20297742 0.84 SERPINE1 (0.39) SERPINE1MEN1GAAKMT2ATDP1
SCHEMBL25809239 0.84 SERPINE1 (0.39) SERPINE1MEN1GAAKMT2ATDP1
SCHEMBL26314494 0.84 SERPINE1 (0.39) SERPINE1MEN1GAAKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 — — CN disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 — — EP disclosed
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 — — US disclosed
CN-113226296-A SSAO inhibitors and uses thereof 梅塔科林公司 2021-08-06 — — CN disclosed
EP-3858827-A1 PREPARATION OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE INHIBITOR AND USE THEREOF Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-08-04 — — EP disclosed
WO-2021148032-A1 PREPARATION OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE INHIBITOR AND USE THEREOF 轶诺(浙江)药业有限公司 2021-07-29 — — WO disclosed
CN-107266332-B Substituted 3-haloallylamine inhibitors of SSAO and uses thereof 勃林格殷格翰国际有限公司 2020-07-24 — — CN disclosed
US-10584129-B2 Substituted 6,7-dihydropyrazolo[1,5-a]pyrazines as negative allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICALS NV (BE) 2020-03-10 — — US disclosed
EP-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 — — EP disclosed
WO-2019101086-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-05-31 — — WO disclosed
US-9273058-B2 Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 — — US disclosed
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF PHARMAXIS, LTD. (AU) 2015-06-11 — — US disclosed
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF PHARMAXIS, LTD. (AU) 2015-06-11 — — US disclosed
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 — — WO disclosed
WO-2015073763-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 — — WO disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 — — US disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 — — US disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 — — US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 — — US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 — — 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 SERPINE1 644/4885MEN1 1169/4885GAA 1861/4885
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof VAPB, VAPA, ADRA1D SERPINE1 100/4885MEN1 3673/4885GAA 2770/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 SERPINE1 644/4885MEN1 1169/4885GAA 1861/4885
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF HAO1, VAPA, AOC3 SERPINE1 20/4885MEN1 4287/4885GAA 670/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 SERPINE1 775/4885MEN1 4028/4885GAA 2533/4885
US-10584129-B2 Substituted 6,7-dihydropyrazolo[1,5-a]pyrazines as negative allosteric modulators of mGluR2 receptors GRM2, GRM5, GRM1 SERPINE1 4629/4885MEN1 4476/4885GAA 4167/4885

“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.