SCHEMBL19687005

SCHEMBL19687005

COC(=O)N1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(Cl)n3)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 11/20 0.38
IDH2 P48735 3/20 0.34
CACNA1G O43497 3/20 0.32
CACNA1H O95180 3/20 0.32
CACNA1I Q9P0X4 3/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PDE4D Q08499 1/20 0.31
CNR1 P21554 1/20 0.31
ROCK2 O75116 1/20 0.31
CACNB4 O00305 2/20 0.31
CACNA1A O00555 2/20 0.31
CACNG3 O60359 2/20 0.31
CACNA1F O60840 2/20 0.31
CACNB3 P54284 2/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNG7 P62955 2/20 0.31
CACNA1B Q00975 2/20 0.31
CACNA1D Q01668 2/20 0.31
CACNB1 Q02641 2/20 0.31

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
SCHEMBL31127199 0.91 IDH1 (0.39) IDH1IDH2NOS1NOS2PDE4D
SCHEMBL19687001 0.91 IDH1 (0.39) IDH1IDH2NOS1NOS2PDE4D
SCHEMBL19686287 0.91 IDH1 (0.39) IDH1IDH2NOS1NOS2PDE4D
SCHEMBL19687003 0.90 IDH1 (0.38) IDH1IDH2NOS1NOS2PDE4D
SCHEMBL19687244 0.89 IDH1 (0.38) IDH1IDH2CACNA1GCACNA1HCACNA1I
SCHEMBL19687241 0.89 IDH1 (0.38) IDH1IDH2PDE4DROCK2
SCHEMBL19686559 0.89 IDH1 (0.37) IDH1IDH2CACNA1GCACNA1HCACNA1I
SCHEMBL19687406 0.89 IDH1 (0.37) IDH1IDH2CACNA1GCACNA1HCACNA1I
SCHEMBL19686905 0.89 IDH1 (0.37) IDH1IDH2PDE4D
SCHEMBL19686562 0.83 IDH1 (0.36) IDH1IDH2NOS1NOS2PDE4D

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 3017/4885IDH2 2447/4885CACNA1G 66/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885CACNA1G 66/4885

“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.