SCHEMBL3064095

SCHEMBL3064095

Cc1ccc(OCCN(C)c2ccc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cn2)nn1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.33
DGAT1 O75907 2/20 0.33
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
AOC3 Q16853 1/20 0.32
POLB P06746 1/20 0.32
ELOVL1 Q9BW60 1/20 0.32
RIPK1 Q13546 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
POLQ O75417 1/20 0.31
PDK1 Q15118 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 0.89 QPCT (0.34) QPCTDGAT1CXCR1CXCR2AOC3
SCHEMBL3054777 0.86 POLB (0.43) DGAT1POLBMEN1CYP3A4CYP2C9
SCHEMBL3061759 0.82 TRPV1 (0.41) DGAT1CXCR1CXCR2AOC3POLB
SCHEMBL3056261 0.79 POLB (0.41) CXCR1CXCR2POLBRIPK1PDK1
SCHEMBL3067990 0.78 CYP3A4 (0.39) POLBRIPK1PDK1NR1H4CYP3A4
SCHEMBL3058261 0.76 POLB (0.46) CXCR2POLBMEN1CYP3A4CYP2C9
SCHEMBL3068377 0.76 CYP3A4 (0.42) AOC3POLBRIPK1PDK1NR1H4
SCHEMBL3057771 0.75 MAPT (0.47) CXCR1CXCR2RIPK1MEN1CYP3A4
SCHEMBL3064331 0.75 CACNA1H (0.45) AOC3POLBRIPK1MEN1CYP3A4
SCHEMBL3067942 0.74 OPRM1 (0.39) QPCTMEN1KMT2A

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 QPCT 2105/4885DGAT1 2034/4885CXCR1 2697/4885

“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.