SCHEMBL3054777

SCHEMBL3054777

CN(CCOc1ccccn1)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 7/20 0.35
F2 P00734 1/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
GMNN O75496 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
ADRB3 P13945 1/20 0.35
ADRA2B P18089 1/20 0.35
NFKB1 P19838 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
SCHEMBL3058267 0.88 QPCT (0.34) POLBPPARGPPARADGAT1
SCHEMBL3058261 0.87 POLB (0.46) POLBKMT2AMEN1CYP3A4CYP2C9
SCHEMBL3064095 0.86 QPCT (0.33) POLBKMT2AMEN1CYP3A4CYP2C9
SCHEMBL3061759 0.83 TRPV1 (0.41) POLBKMT2AMEN1CYP3A4CYP2C9
SCHEMBL3067990 0.82 CYP3A4 (0.39) POLBCYP3A4LMNAALDH1A1
SCHEMBL3068377 0.81 CYP3A4 (0.42) POLBCYP3A4LMNAALDH1A1
SCHEMBL3056261 0.80 POLB (0.41) POLBKMT2AMEN1CYP3A4CYP2C9
SCHEMBL3063300 0.79 POLB (0.44) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3057771 0.77 MAPT (0.47) KMT2AMEN1CYP3A4CYP2C19TSHR
SCHEMBL3822248 0.76 POLB (0.43) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2

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 POLB 4856/4885KMT2A 2712/4885MEN1 2337/4885

“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.