SCHEMBL3063808

SCHEMBL3063808

CCN(CC)c1cccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN1 Q05586 15/20 0.39
GRIN2A Q12879 15/20 0.39
GRIA2 P42262 8/20 0.38
POLB P06746 1/20 0.38
RIPK1 Q13546 2/20 0.34

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
Hydrochloric Acid SCHEMBL3063650 0.99 MEN1 (0.38) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3060751 0.85 MEN1 (0.34) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL8173443 0.81 PTGER2 (0.43) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3064331 0.79 CACNA1H (0.45) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3065115 0.78 GRIN1 (0.42) GRIN1GRIN2AGRIA2
SCHEMBL3058165 0.76 CNR2 (0.51) RIPK1
Hydrochloric Acid SCHEMBL3053700 0.75 CNR2 (0.50) RIPK1
Trifluoroacetic Acid SCHEMBL3054195 0.75 CACNA1H (0.42) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3068329 0.74 GRIN2A (0.39) GRIN1GRIN2AGRIA2
SCHEMBL3056296 0.74 POLB (0.39) MEN1CYP3A4CYP2C9CYP2C19KMT2A

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 9 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
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO 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 MEN1 2337/4885CYP3A4 1045/4885CYP2C9 2180/4885

“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.