SCHEMBL21166252

SCHEMBL21166252

COC(=O)N1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-c3nc(C)cs3)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.40
IDH1 O75874 5/20 0.35
IDH2 P48735 2/20 0.35
ZAP70 P43403 1/20 0.34
FABP4 P15090 3/20 0.33
FABP5 Q01469 3/20 0.33

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
SCHEMBL31127156 0.85 IDH1 (0.38) GRM5IDH1IDH2FABP4FABP5
SCHEMBL19687400 0.85 IDH1 (0.38) GRM5IDH1IDH2FABP4FABP5
SCHEMBL21144068 0.85 GRM5 (0.40) GRM5IDH1FABP4FABP5
SCHEMBL19686417 0.84 GRM5 (0.39) GRM5ZAP70FABP4FABP5
SCHEMBL19687049 0.82 IDH1 (0.43) IDH1IDH2FABP4FABP5
SCHEMBL21165876 0.81 OPRK1 (0.38) GRM5IDH1IDH2FABP4FABP5
SCHEMBL21143866 0.81 IDH1 (0.39) IDH1IDH2FABP4FABP5
SCHEMBL21144218 0.81 IDH1 (0.38) GRM5IDH1IDH2FABP4FABP5
SCHEMBL21144521 0.80 IDH1 (0.37) GRM5IDH1IDH2FABP4FABP5
SCHEMBL19687119 0.79 IDH1 (0.37) IDH1IDH2

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 2 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

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 GRM5 1096/4885IDH1 3017/4885IDH2 2447/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 GRM5 1096/4885IDH1 3017/4885IDH2 2447/4885

“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.