SCHEMBL15054817

SCHEMBL15054817

O=C(NCC1CCNC1)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
RPS6KB1 P23443 1/20 0.47
SLC6A4 P31645 1/20 0.46
SMYD3 Q9H7B4 2/20 0.45
NAMPT P43490 1/20 0.43
PBK Q96KB5 2/20 0.43
CNR2 P34972 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CCR2 P41597 1/20 0.41
CCR3 P51677 1/20 0.41
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL29242150 0.92 RPS6KB1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL16163289 0.85 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL15054310 0.80 SMYD3 (0.54) CHRM3SMYD3NAMPTHDAC6CCR2
SCHEMBL15054164 0.78 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL15054741 0.74 SMYD3 (0.61) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL20971825 0.73 SLC6A4 (0.46) SLC6A4
SCHEMBL13752999 0.73 PPARD (0.50)
SCHEMBL17886756 0.73 SMYD3 (0.56) SMYD3NAMPTHDAC6
SCHEMBL29242078 0.73 USP30 (0.51) RPS6KB1NAMPT
SCHEMBL11712708 0.72 HDAC6 (0.56) CHRM3SMYD3HDAC6CCR2

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 CHRM1 3940/4885CHRM2 4206/4885CHRM4 4004/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 CHRM1 3958/4885CHRM2 4219/4885CHRM4 4105/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 CHRM1 3939/4885CHRM2 4202/4885CHRM4 4116/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 CHRM1 3958/4885CHRM2 4219/4885CHRM4 4105/4885

“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.