SCHEMBL3058152

SCHEMBL3058152

CC(C)(C)C(=O)N(Cc1ccc(NC2CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAPK14 Q16539 1/20 0.41
RORC P51449 1/20 0.41
HCAR3 P49019 3/20 0.40
PRKAA2 P54646 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
PDK1 Q15118 2/20 0.37
VNN1 O95497 1/20 0.37
TDO2 P48775 1/20 0.37
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
CRHR1 P34998 1/20 0.36
POLB P06746 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
CCNT1 O60563 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
SCHEMBL3058766 0.86 CRHR1 (0.45) VNN1CRHR1IRAK4
SCHEMBL3063804 0.85 VNN1 (0.40) MAPK14PDK1VNN1POLB
SCHEMBL8168504 0.84 HCAR3 (0.41) MAPK14HCAR3PDK1POLB
SCHEMBL3826441 0.80 MAPK14 (0.49) MAPK14HCAR3PRKAA2KCNQ3KCNQ2
SCHEMBL3058763 0.80 CACNA1H (0.41) POLB
SCHEMBL4737583 0.79 GAA (0.46) MAPK14PDK1POLBCCNT1
SCHEMBL3071604 0.79 BCL2A1 (0.44) KCNQ3KCNQ2PDK1POLB
SCHEMBL3056261 0.78 POLB (0.41) PDK1TDO2POLB
SCHEMBL3048291 0.78 KCNH2 (0.45) PRKAA2
SCHEMBL3049292 0.78 HRH3 (0.38) POLB

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 CYP11B1 1194/4885CYP11B2 1249/4885MAPK14 4228/4885

“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.