SCHEMBL15054550

SCHEMBL15054550

O=C(O)N1CCC(NCc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
RPS6KB1 P23443 1/20 0.48
HRH3 Q9Y5N1 3/20 0.48
SIGMAR1 Q99720 2/20 0.48
SSTR3 P32745 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TEAD1 P28347 2/20 0.47
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
BACE1 P56817 3/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
DRD4 P21917 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4635783 0.85 TEAD1 (0.51) EPHX2RPS6KB1HRH3SIGMAR1SSTR3
SCHEMBL4492750 0.83 ENPP2 (0.45) EPHX2SIGMAR1MEN1KMT2ATEAD1
SCHEMBL28137413 0.83 USP30 (0.46) EPHX2RPS6KB1TEAD1
SCHEMBL1189971 0.81 ACHE (0.60) MEN1KMT2ATEAD1BCHEACHE
SCHEMBL16269315 0.81 ACHE (0.60) MEN1KMT2ATEAD1BCHEACHE
SCHEMBL20766057 0.80 BCHE (0.59) SIGMAR1MEN1KMT2ATEAD1BCHE
SCHEMBL4477584 0.79 BCHE (0.58) EPHX2SIGMAR1BCHEACHEBACE1
SCHEMBL3487240 0.78 POLB (0.56) HRH3MEN1KMT2ABCHEACHE
SCHEMBL2930989 0.77 TEAD1 (0.53) EPHX2SIGMAR1TEAD1BCHEACHE
SCHEMBL2930995 0.77 TEAD1 (0.53) EPHX2SIGMAR1TEAD1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US 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
WO-2013096194-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-06-27 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 (4 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 EPHX2 3389/4885RPS6KB1 237/4885HRH3 1043/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 EPHX2 3588/4885RPS6KB1 210/4885HRH3 966/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 EPHX2 3468/4885RPS6KB1 197/4885HRH3 1089/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 EPHX2 3588/4885RPS6KB1 210/4885HRH3 966/4885

“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.