SCHEMBL16163289

SCHEMBL16163289

O=C(NCC1CCNC1)c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
SMYD3 Q9H7B4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KLKB1 P03952 2/20 0.48
PBK Q96KB5 3/20 0.45
CNR2 P34972 1/20 0.45
RPS6KB1 P23443 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
SCHEMBL15054164 0.90 CHRM1 (0.58) CHRM1NPC1RAB9ACHRM2CHRM4
SCHEMBL15054817 0.85 CHRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7982043 0.85 NPC1 (0.64) CHRM1NPC1RAB9ACHRM2CHRM4
SCHEMBL5518294 0.80 L3MBTL1 (0.48) CHRM1NPC1RAB9AL3MBTL1KLKB1
Acetic Acid SCHEMBL6454337 0.80 NPC1 (0.59) CHRM1NPC1RAB9ACHRM2CHRM4
SCHEMBL15054741 0.78 SMYD3 (0.61) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL29849927 0.76 NAMPT (0.53) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL16430975 0.76 NAMPT (0.53) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL29242150 0.75 RPS6KB1 (0.48) CHRM1NPC1RAB9ACHRM2CHRM4
SCHEMBL29242160 0.74 OPRM1 (0.55) CHRM1NPC1RAB9ACHRM2CHRM4

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 6 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
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 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 (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 3940/4885NPC1 4462/4885RAB9A 2140/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 CHRM1 3958/4885NPC1 4320/4885RAB9A 1987/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 CHRM1 3939/4885NPC1 4257/4885RAB9A 2447/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 CHRM1 3958/4885NPC1 4320/4885RAB9A 1987/4885

“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.