SCHEMBL529265

SCHEMBL529265

CC(C)(C)OC(=O)N1CC(N)C(c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.57
RORC P51449 1/20 0.53
GPR119 Q8TDV5 1/20 0.47
ABHD6 Q9BV23 2/20 0.44
KCNH2 Q12809 2/20 0.44
SCN5A Q14524 2/20 0.44
SCN9A Q15858 2/20 0.44
PDE4B Q07343 4/20 0.43
TACR1 P25103 2/20 0.42
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
PDE5A O76074 1/20 0.40
NAMPT P43490 1/20 0.38

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
SCHEMBL15073424 1.00 LIPE (0.57) LIPERORCGPR119ABHD6KCNH2
SCHEMBL528827 0.86 PDE4B (0.51) RORCGPR119PDE4BKDM1AMAOB
SCHEMBL528339 0.86 RORC (0.49) LIPERORCGPR119ABHD6KCNH2
SCHEMBL528345 0.85 RORC (0.61) LIPERORCGPR119PDE4BTACR1
SCHEMBL1968859 0.85 RORC (0.54) RORCPDE4BTACR1KDM1ANAMPT
SCHEMBL1971296 0.85 RORC (0.54) RORCPDE4BTACR1KDM1ANAMPT
SCHEMBL528565 0.85 RORC (0.54) RORCPDE4BTACR1KDM1ANAMPT
SCHEMBL12587287 0.85 RORC (0.54) RORCPDE4BTACR1KDM1ANAMPT
SCHEMBL12513594 0.85 RORC (0.54) RORCPDE4BTACR1KDM1ANAMPT
SCHEMBL30693150 0.85 RORC (0.54) RORCPDE4BTACR1KDM1ANAMPT

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-10087166-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2018-10-02 US disclosed
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9586938-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
CN-104169258-B novel heterocyclic carboxamides as modulators of kinase activity 默克专利有限公司 2017-03-01 CN disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
EP-2794571-B1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-02 EP disclosed
US-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-03-03 US disclosed
US-9139568-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
EP-2794571-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-10-29 EP disclosed
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 US disclosed
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
WO-2013096194-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-06-27 WO disclosed
EP-2598497-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2013-06-05 EP disclosed
WO-2012016001-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2012-02-02 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 (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-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 LIPE 4495/4885RORC 1766/4885GPR119 925/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 LIPE 4544/4885RORC 1794/4885GPR119 923/4885
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA LIPE 4829/4885RORC 1474/4885GPR119 1143/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 LIPE 4507/4885RORC 1325/4885GPR119 1126/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 LIPE 4544/4885RORC 1794/4885GPR119 923/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA LIPE 4829/4885RORC 1474/4885GPR119 1143/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA LIPE 4829/4885RORC 1474/4885GPR119 1143/4885

“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.