SCHEMBL19687023

SCHEMBL19687023

COC(=O)N1CCC(c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(C)n3)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 2/20 0.38
DLK1 P80370 1/20 0.38
DRG1 Q9Y295 1/20 0.38
IDH1 O75874 3/20 0.36
IDH2 P48735 1/20 0.36
NOS2 P35228 5/20 0.36
NOS1 P29475 4/20 0.36
NOS3 P29474 2/20 0.36
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
OPRM1 P35372 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
FASN P49327 1/20 0.33
TLR9 Q9NR96 1/20 0.32

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
SCHEMBL19687019 0.91 MAP3K12 (0.46) MAP3K12DLK1DRG1IDH1TLR8
SCHEMBL19686298 0.87 IDH1 (0.40) MAP3K12DLK1DRG1IDH1IDH2
SCHEMBL19687024 0.86 IDH1 (0.37) MAP3K12DLK1DRG1IDH1TLR8
SCHEMBL19686396 0.84 IDH1 (0.43) IDH1IDH2IRAK4
SCHEMBL19687007 0.84 IDH1 (0.39) MAP3K12DLK1IDH1IDH2NOS2
SCHEMBL19687016 0.83 HRH4 (0.43) MAP3K12IDH1IRAK4
SCHEMBL19687148 0.82 NOS2 (0.33) IDH1IDH2NOS2NOS1NOS3
SCHEMBL31127326 0.82 SUV39H2 (0.36) NOS2NOS1NOS3
SCHEMBL21143997 0.82 SUV39H2 (0.36) NOS2NOS1NOS3
SCHEMBL19687344 0.81 IDH1 (0.41) IDH1IDH2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 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 (2 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 MAP3K12 369/4885DLK1 4046/4885DRG1 815/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 MAP3K12 369/4885DLK1 4046/4885DRG1 815/4885

“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.