SCHEMBL21165876

SCHEMBL21165876

COC(=O)N1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-c3nc(C)no3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.38
IDH1 O75874 3/20 0.33
IDH2 P48735 1/20 0.33
FABP4 P15090 3/20 0.33
FABP5 Q01469 3/20 0.33
NAMPT P43490 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
SMO Q99835 2/20 0.32
PDE4D Q08499 1/20 0.32
ROCK2 O75116 1/20 0.31
GRM5 P41594 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
SCHEMBL19686387 0.85 OPRK1 (0.38) OPRK1IDH1IDH2FABP4FABP5
SCHEMBL31127400 0.85 OPRK1 (0.38) OPRK1IDH1IDH2FABP4FABP5
SCHEMBL21166252 0.81 GRM5 (0.40) IDH1IDH2FABP4FABP5GRM5
SCHEMBL21143653 0.75 OPRK1 (0.42) OPRK1IDH1IDH2FABP4FABP5
SCHEMBL19686376 0.73 IDH1 (0.41) IDH1IDH2
SCHEMBL21144356 0.72 ADORA3 (0.34) IDH1IDH2NAMPTNOS3NOS1
SCHEMBL31127431 0.72 ADORA3 (0.34) IDH1IDH2NAMPTNOS3NOS1
SCHEMBL21165869 0.72 OPRK1 (0.44) OPRK1
SCHEMBL21144088 0.71 GPR119 (0.36) IDH1IDH2NOS3NOS1NOS2
SCHEMBL31127073 0.71 GPR119 (0.36) IDH1IDH2NOS3NOS1NOS2

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 OPRK1 337/4885IDH1 3017/4885IDH2 2447/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 OPRK1 337/4885IDH1 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.