SCHEMBL19686397

SCHEMBL19686397

CC(=O)N1CCC(c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(C)n3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 12/20 0.46
DLK1 P80370 1/20 0.46
IDH1 O75874 3/20 0.43
EPHX2 P34913 1/20 0.40
SYK P43405 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL21143985 0.92 MAP3K12 (0.47) MAP3K12DLK1IDH1EPHX2SYK
SCHEMBL19687007 0.91 IDH1 (0.39) MAP3K12DLK1IDH1HTR1ADRD2
SCHEMBL21143643 0.88 IDH1 (0.48) MAP3K12DLK1IDH1SYK
SCHEMBL19687019 0.84 MAP3K12 (0.46) MAP3K12DLK1IDH1EPHX2SYK
SCHEMBL19687145 0.82 IDH1 (0.45) IDH1
SCHEMBL31127365 0.82 IDH1 (0.45) IDH1
SCHEMBL19686279 0.80 IDH1 (0.51) IDH1
SCHEMBL31127138 0.80 IDH1 (0.50) MAP3K12IDH1
SCHEMBL19686734 0.80 IDH1 (0.50) MAP3K12IDH1
SCHEMBL19686275 0.79 IDH1 (0.49) IDH1

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 4046/4885IDH1 3017/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 MAP3K12 369/4885DLK1 4046/4885IDH1 3017/4885

“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.