SCHEMBL528336

SCHEMBL528336

CC(C)(C)OC(=O)N1CC(N)C(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.54
TACR1 P25103 7/20 0.52
PDE4B Q07343 3/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
NOTCH1 P46531 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AKT1 P31749 1/20 0.42
MC4R P32245 1/20 0.42
F2 P00734 1/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL528144 0.90 TACR1 (0.54) RORCTACR1HTR2AHTR2CHTR2B
SCHEMBL527752 0.86 RORC (0.50) RORCTACR1PDE4BRPS6KB1
SCHEMBL15197023 0.86 RORC (0.50) RORCTACR1PDE4BRPS6KB1
SCHEMBL18597224 0.86 RORC (0.50) RORCTACR1PDE4BRPS6KB1
SCHEMBL528345 0.86 RORC (0.61) RORCTACR1PDE4BMC4R
SCHEMBL528339 0.84 RORC (0.49) RORCTACR1PDE4B
SCHEMBL528026 0.84 TACR1 (0.47) RORCTACR1PDE4BMC4R
SCHEMBL527777 0.84 RORC (0.47) RORCTACR1PDE4BNOTCH1
SCHEMBL528139 0.84 DPP4 (0.51) RORCTACR1PDE4BMC4R
SCHEMBL15054176 0.83 RPS6KB1 (0.46) HTR2AHTR2CHTR2BRPS6KB1AKT1

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 12 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
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
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
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 RORC 1766/4885TACR1 4833/4885PDE4B 947/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 RORC 1794/4885TACR1 4806/4885PDE4B 897/4885
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA RORC 1474/4885TACR1 3511/4885PDE4B 676/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 RORC 1325/4885TACR1 4830/4885PDE4B 966/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 RORC 1794/4885TACR1 4806/4885PDE4B 897/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA RORC 1474/4885TACR1 3511/4885PDE4B 676/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA RORC 1474/4885TACR1 3511/4885PDE4B 676/4885

“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.