SCHEMBL3063271

SCHEMBL3063271

CCN(CC)c1ccc(CN(C(=O)C(C)(C)CC)c2ccc(F)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 9/20 0.49
CACNA1H O95180 2/20 0.44
AOC3 Q16853 1/20 0.43
LTB4R2 Q9NPC1 2/20 0.36
BCL2A1 Q16548 1/20 0.36
CNR2 P34972 1/20 0.36
GBA1 P04062 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL3064331 0.91 CACNA1H (0.45) RIPK1CACNA1HAOC3LTB4R2BCL2A1
Trifluoroacetic Acid SCHEMBL3054195 0.86 CACNA1H (0.42) RIPK1CACNA1HAOC3LTB4R2BCL2A1
SCHEMBL4736030 0.85 CACNA1H (0.47) CACNA1HAOC3LTB4R2BCL2A1CNR2
SCHEMBL3071006 0.85 CACNA1H (0.47) CACNA1HAOC3LTB4R2BCL2A1CNR2
SCHEMBL3065942 0.83 CACNA1H (0.46) RIPK1CACNA1HAOC3LTB4R2BCL2A1
SCHEMBL3054673 0.82 NR1H2 (0.41) RIPK1CACNA1HAOC3LTB4R2BCL2A1
SCHEMBL3815393 0.82 CACNA1H (0.45) CACNA1HAOC3LTB4R2BCL2A1CNR2
SCHEMBL3819450 0.82 CACNA1H (0.46) RIPK1CACNA1HAOC3LTB4R2BCL2A1
SCHEMBL3816063 0.81 CACNA1H (0.45) CACNA1HAOC3LTB4R2BCL2A1CNR2
SCHEMBL3061182 0.80 CACNA1H (0.40) RIPK1CACNA1HAOC3LTB4R2GRIA2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 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 (1 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S RIPK1 2974/4885CACNA1H 13/4885AOC3 4426/4885

“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.