SCHEMBL3057771

SCHEMBL3057771

CN(Cc1ccco1)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TP53 P04637 4/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 7/20 0.39
CYP1A2 P05177 5/20 0.39
CYP2C19 P33261 5/20 0.39
CYP2D6 P10635 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 2/20 0.39
GLA P06280 1/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3056261 0.82 POLB (0.41) MAPTRIPK1CYP2C19CYP3A4LMNA
SCHEMBL3061759 0.82 TRPV1 (0.41) RIPK1CYP2C19CYP3A4MEN1KMT2A
SCHEMBL3064331 0.78 CACNA1H (0.45) RIPK1CYP2C19CYP3A4MEN1KMT2A
SCHEMBL3058261 0.78 POLB (0.46) MAPTALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL3068377 0.77 CYP3A4 (0.42) TP53GAARIPK1ALDH1A1CYP3A4
SCHEMBL3058763 0.77 CACNA1H (0.41) GAARIPK1ALDH1A1
SCHEMBL3054777 0.77 POLB (0.43) MAPTALDH1A1CYP2C19CYP2D6HSD17B10
SCHEMBL3067942 0.76 OPRM1 (0.39) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL3058267 0.76 QPCT (0.34) RIPK1CXCR1CXCR2
SCHEMBL3064095 0.75 QPCT (0.33) RIPK1CYP2C19CYP3A4MEN1KMT2A

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 7 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
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 MAPT 1379/4885TP53 2391/4885GAA 1997/4885

“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.