SCHEMBL3060751

SCHEMBL3060751

CCN(c1cccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)n1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
GRIN2A Q12879 6/20 0.34
GRIA2 P42262 3/20 0.34
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ACHE P22303 1/20 0.32
GRIN1 Q05586 5/20 0.32
JAK2 O60674 1/20 0.32
OPRM1 P35372 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL3063808 0.85 MEN1 (0.39) MEN1KMT2ACYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3063650 0.84 MEN1 (0.38) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL3049292 0.82 HRH3 (0.38) POLBJAK2OPRM1HRH3RIPK1
Hydrochloric Acid SCHEMBL3057733 0.81 HRH3 (0.37) POLBJAK2OPRM1HRH3RIPK1
SCHEMBL3064059 0.81 GRM1 (0.34) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL3063855 0.79 RIPK1 (0.43) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL3059109 0.79 ACHE (0.39) MEN1KMT2ACYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3064216 0.78 ACHE (0.39) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8173443 0.76 PTGER2 (0.43) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL3066270 0.74 HDAC1 (0.39) SMN1; SMN2ACHEHDAC1HDAC8HDAC6

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 MEN1 2337/4885KMT2A 2712/4885CYP3A4 1045/4885

“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.