SCHEMBL21166129

SCHEMBL21166129

C=CCC(O)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.39
KCNN3 Q9UGI6 1/20 0.39
IDH1 O75874 5/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
KCNH2 Q12809 1/20 0.31
NR2F2 P24468 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC34A1 Q06495 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
S1PR2 O95136 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
XBP1 P17861 1/20 0.31
RAB9A P51151 1/20 0.31
PPP1CA P62136 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
SCHEMBL21144126 0.86 KCNN2 (0.45) KCNN2KCNN3IDH1ADORA2AADORA1
SCHEMBL31127066 0.85 KCNN2 (0.39) KCNN2KCNN3IDH1ADORA2AADORA1
SCHEMBL21143662 0.85 KCNN2 (0.39) KCNN2KCNN3IDH1ADORA2AADORA1
SCHEMBL19686300 0.83 KCNN2 (0.46) KCNN2KCNN3IDH1NPSR1MAPT
SCHEMBL21166128 0.83 KCNN2 (0.35) KCNN2KCNN3IDH1
SCHEMBL19686710 0.82 KCNN2 (0.37) KCNN2KCNN3IDH1NR2F2NPSR1
SCHEMBL19686887 0.80 KCNN2 (0.48) KCNN2KCNN3IDH1ADORA2AADORA1
SCHEMBL19686284 0.79 KCNN2 (0.49) KCNN2KCNN3IDH1MAPTLMNA
SCHEMBL19686944 0.79 KCNN2 (0.45) KCNN2KCNN3IDH1ADORA2AADORA1
SCHEMBL19686920 0.79 KCNN2 (0.38) KCNN2KCNN3IDH1NR2F2NPSR1

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 KCNN2 5/4885KCNN3 11/4885IDH1 3017/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 KCNN2 5/4885KCNN3 11/4885IDH1 3017/4885

“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.