SCHEMBL442192

SCHEMBL442192

CCOC(=O)C1(COC(C)C)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
CTSK P43235 1/20 0.32
CTSL P07711 1/20 0.31
ADORA1 P30542 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL440567 0.86 GRIN2B (0.39) GRIN2BGRIN2CCTSKCTSLADORA1
SCHEMBL15937061 0.81 DPP4 (0.34) GRIN2BGRIN2CL3MBTL1
SCHEMBL443907 0.81 MEN1 (0.37) GRIN2BGRIN2C
SCHEMBL445022 0.80 JAK3 (0.33) GRIN2BGRIN2CCTSKADORA1
SCHEMBL20329118 0.79 GRIN2B (0.42) GRIN2BGRIN2CCTSKCTSLADORA1
SCHEMBL24471425 0.78 GRIN2B (0.39) GRIN2BGRIN2CCTSKADORA1L3MBTL1
SCHEMBL17712367 0.78 GRIN2B (0.42) GRIN2BGRIN2CCTSKCTSLADORA1
SCHEMBL17352380 0.77
SCHEMBL5578431 0.77 GRIN2B (0.38) GRIN2BGRIN2CCTSKADORA1L3MBTL1
SCHEMBL8950892 0.77 GRIN2B (0.38) GRIN2BGRIN2CCTSKADORA1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283530-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND APPLICATION THEREOF BEIJING LIHE TECH LTD (CN) 2017-10-05 US claimed
US-20160272733-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND APPLICATION THEREOF BEIJING LIHE TECHNOLOGY LTD. (CN) 2016-09-22 US claimed
US-20190169328-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF RENQIU LIHE TECH LTD (CN) 2019-06-06 US disclosed
US-10208146-B2 Catalyst component for olefin polymerization and application thereof BEIJING LIHE TECHNOLOGY LTD. (CN) 2019-02-19 US disclosed
US-20170355792-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF RENQIU LIHE TECH LTD (CN) 2017-12-14 US disclosed
US-20170283530-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND APPLICATION THEREOF BEIJING LIHE TECH LTD (CN) 2017-10-05 US disclosed
US-20160272733-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND APPLICATION THEREOF BEIJING LIHE TECHNOLOGY LTD. (CN) 2016-09-22 US disclosed
EP-2684871-B1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives HOFFMANN LA ROCHE (CH) 2016-05-04 EP disclosed
EP-2684871-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives F. Hoffmann-La Roche AG (CH) 2014-01-15 EP disclosed
US-8513425-B2 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-08-20 US disclosed
EP-2354124-B1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives HOFFMANN LA ROCHE (CH) 2013-02-13 EP disclosed
US-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF IYER PRAVIN (US) 2012-03-15 US disclosed
US-8084623-B2 heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents ROCHE PALO ALTO LLC (US) 2011-12-27 US disclosed
EP-2354124-A2 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives F. Hoffmann-La Roche AG (CH) 2011-08-10 EP disclosed
EP-2297096-A2 ARYL KETONE AS MRI F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US disclosed
WO-2009153178-A2 ARYL KETONE AS MRI F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 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 (7 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-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF CNKSR1, RB1, AR GRIN2B 1547/4885GRIN2C 838/4885CTSK 873/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR GRIN2B 1547/4885GRIN2C 838/4885CTSK 873/4885
US-10208146-B2 Catalyst component for olefin polymerization and application thereof TEC, ETFA, TECR GRIN2B 945/4885GRIN2C 780/4885CTSK 2579/4885
US-20190169328-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF COG2, GTF2I, POF1B GRIN2B 130/4885GRIN2C 150/4885CTSK 3314/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C GRIN2B 207/4885GRIN2C 54/4885CTSK 1295/4885
US-20170283530-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND APPLICATION THEREOF TEC, ETFA, TECR GRIN2B 945/4885GRIN2C 780/4885CTSK 2579/4885
US-20170355792-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF COG2, COG7, COG4 GRIN2B 257/4885GRIN2C 269/4885CTSK 3177/4885

“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.