SCHEMBL19687022

SCHEMBL19687022

CC(=O)N1CCN(c2cc(NC3CCC(F)(F)CC3)nc(-c3nc(C)cs3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.41
EPHX2 P34913 1/20 0.39
GBA1 P04062 1/20 0.39
SIK1 P57059 1/20 0.38
SIK2 Q9H0K1 1/20 0.38
SIK3 Q9Y2K2 1/20 0.38
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
IDH2 P48735 1/20 0.35
RAB9A P51151 1/20 0.35
DLK1 P80370 1/20 0.35
MAP3K12 Q12852 1/20 0.35
DRG1 Q9Y295 1/20 0.35
SMO Q99835 1/20 0.34
KDR P35968 1/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 2/20 0.34
PRKD1 Q15139 1/20 0.34

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
SCHEMBL19686469 0.90 IDH1 (0.40) IDH1EPHX2WNT1GSK3BDYRK1A
SCHEMBL19686478 0.89 HRH4 (0.47) IDH1WNT1GSK3BDYRK1AHRH4
SCHEMBL19686472 0.89 IDH1 (0.44) IDH1HRH4IDH2
SCHEMBL19686471 0.88 IDH1 (0.44) IDH1HRH4IDH2
SCHEMBL19686476 0.88 CHRM3 (0.46) IDH1HRH4IDH2
SCHEMBL19686477 0.87 IDH1 (0.43) IDH1HRH4IDH2
SCHEMBL19686671 0.86 IDH1 (0.43) IDH1WNT1GSK3BDYRK1AHRH4
SCHEMBL19686649 0.86 IDH1 (0.44) IDH1IDH2
SCHEMBL19687010 0.85 IDH1 (0.40) IDH1HRH4IDH2
SCHEMBL19686480 0.84 IDH1 (0.42) IDH1HRH4IDH2

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 IDH1 3017/4885EPHX2 4064/4885GBA1 481/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885EPHX2 4064/4885GBA1 481/4885

“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.