SCHEMBL19686399

SCHEMBL19686399

CCC(=O)N1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-c3nc(C)cs3)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.37
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CG P48736 2/20 0.33
GRM5 P41594 1/20 0.33
PIK3CB P42338 1/20 0.33
IDH2 P48735 1/20 0.33
ACACB O00763 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
FABP4 P15090 5/20 0.32
FABP5 Q01469 5/20 0.32
RORC P51449 1/20 0.31
RAB9A P51151 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 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
SCHEMBL19686918 0.91 IDH1 (0.37) IDH1PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL31127156 0.90 IDH1 (0.38) IDH1GRM5IDH2FABP4FABP5
SCHEMBL19687400 0.90 IDH1 (0.38) IDH1GRM5IDH2FABP4FABP5
SCHEMBL21165836 0.89 IDH1 (0.39) IDH1GRM5IDH2ACACBFABP4
SCHEMBL19686869 0.89 IDH1 (0.41) IDH1GRM5IDH2FABP4FABP5
SCHEMBL19687119 0.86 IDH1 (0.37) IDH1IDH2RAB9ANOS3NOS1
SCHEMBL31127227 0.86 IDH1 (0.46) IDH1IDH2FABP4FABP5
SCHEMBL19687426 0.86 IDH1 (0.46) IDH1IDH2FABP4FABP5
SCHEMBL19686695 0.85 RAB9A (0.43) IDH1GRM5IDH2ACACBRAB9A
SCHEMBL19687518 0.85 IDH1 (0.39) IDH1IDH2FABP4FABP5

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 3017/4885PIK3CD 897/4885PIK3CA 1182/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885PIK3CD 897/4885PIK3CA 1182/4885

“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.