SCHEMBL21143997

SCHEMBL21143997

COC(=O)N1CC=C(c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(C)n3)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.36
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
KCNH2 Q12809 1/20 0.34
KIT P10721 5/20 0.34
CDK7 P50613 4/20 0.34
CDK13 Q14004 4/20 0.34
CDK12 Q9NYV4 3/20 0.34
WNT3A P56704 1/20 0.34
CCR2 P41597 1/20 0.33
ADAM10 O14672 1/20 0.33
ERBB2 P04626 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP14 P50281 1/20 0.33
ADAM8 P78325 1/20 0.33
ADAM17 P78536 1/20 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
SCHEMBL31127326 1.00 SUV39H2 (0.36) SUV39H2HTR1ADRD2DRD4KCNH2
SCHEMBL19687023 0.82 MAP3K12 (0.38) NOS3NOS1NOS2
SCHEMBL19687148 0.80 NOS2 (0.33) NOS3NOS1NOS2
SCHEMBL19687344 0.77 IDH1 (0.41) SYK
SCHEMBL19687007 0.77 IDH1 (0.39) HTR1ADRD2DRD4KCNH2NOS3
SCHEMBL21143779 0.77 IDH1 (0.42)
SCHEMBL21144135 0.77 IDH1 (0.42)
SCHEMBL31127254 0.77 IDH1 (0.42)
SCHEMBL21143919 0.76 IDH1 (0.39)
SCHEMBL21144072 0.76 IDH1 (0.39)

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 4 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-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
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 SUV39H2 3324/4885HTR1A 1397/4885DRD2 4052/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 SUV39H2 3324/4885HTR1A 1397/4885DRD2 4052/4885

“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.