SCHEMBL3054673

SCHEMBL3054673

CCN(Cc1ccncc1)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
POLB P06746 1/20 0.40
MAPK14 Q16539 1/20 0.39
CXCR2 P25025 1/20 0.39
CACNA1H O95180 1/20 0.39
AOC3 Q16853 1/20 0.38
RIPK1 Q13546 2/20 0.37
CYP3A4 P08684 1/20 0.36
LTB4R2 Q9NPC1 2/20 0.35
BCL2A1 Q16548 1/20 0.35
CNR2 P34972 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) POLBCACNA1HAOC3RIPK1CYP3A4
Trifluoroacetic Acid SCHEMBL3054195 0.86 CACNA1H (0.42) POLBCACNA1HAOC3RIPK1CYP3A4
SCHEMBL3060787 0.83 CYP3A4 (0.43) NR1H2NR1H3POLBCACNA1HAOC3
SCHEMBL4736030 0.83 CACNA1H (0.47) MAPK14CACNA1HAOC3CYP3A4LTB4R2
SCHEMBL3063271 0.82 RIPK1 (0.49) CACNA1HAOC3RIPK1LTB4R2BCL2A1
SCHEMBL3056261 0.82 POLB (0.41) POLBCXCR2CACNA1HRIPK1CYP3A4
SCHEMBL3058165 0.80 CNR2 (0.51) RIPK1LTB4R2BCL2A1CNR2
SCHEMBL3056296 0.80 POLB (0.39) POLBCACNA1HRIPK1CYP3A4LTB4R2
Hydrochloric Acid SCHEMBL3053700 0.79 CNR2 (0.50) RIPK1LTB4R2BCL2A1CNR2
SCHEMBL3066257 0.79 RIPK1 (0.39) POLBCACNA1HAOC3RIPK1CYP3A4

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 6 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

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 NR1H2 544/4885NR1H3 662/4885POLB 4856/4885

“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.