SCHEMBL3063804

SCHEMBL3063804

CC(C)(C)Nc1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.40
POLB P06746 1/20 0.38
RIPK1 Q13546 2/20 0.37
BCL2A1 Q16548 1/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK14 Q16539 2/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 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
SCHEMBL8168504 0.87 HCAR3 (0.41) POLBRIPK1BCL2A1MEN1CYP3A4
SCHEMBL3058152 0.85 CYP11B1 (0.43) VNN1POLBMAPK14PDK1
SCHEMBL3058766 0.83 CRHR1 (0.45) VNN1ALDH1A1
SCHEMBL3071604 0.82 BCL2A1 (0.44) POLBRIPK1BCL2A1MEN1CYP3A4
SCHEMBL3056261 0.81 POLB (0.41) POLBRIPK1BCL2A1MEN1CYP3A4
SCHEMBL3064331 0.79 CACNA1H (0.45) POLBRIPK1BCL2A1MEN1CYP3A4
SCHEMBL3063091 0.79 CYP3A4 (0.42) POLBRIPK1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL3066257 0.78 RIPK1 (0.39) POLBRIPK1BCL2A1MEN1CYP3A4
SCHEMBL3063912 0.76 CACNA1H (0.46) POLBALDH1A1KDM4E
SCHEMBL3061759 0.76 TRPV1 (0.41) POLBRIPK1BCL2A1MEN1CYP3A4

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 VNN1 3927/4885POLB 4856/4885RIPK1 2974/4885

“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.