SCHEMBL3055944

SCHEMBL3055944

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
MAPK14 Q16539 1/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 4/20 0.39
CYP3A4 P08684 2/20 0.38
DGAT1 O75907 1/20 0.38
AOC3 Q16853 1/20 0.38
HCAR3 P49019 1/20 0.37
BCL2A1 Q16548 1/20 0.37
TSPO P30536 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36

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
SCHEMBL3061759 0.88 TRPV1 (0.41) CXCR1CXCR2MEN1KMT2ATRPV1
SCHEMBL8179569 0.85 PDK1 (0.43) CXCR1CXCR2MAPK14HCAR3HSP90AA1
SCHEMBL3823781 0.84 PDK1 (0.46) CXCR1CXCR2MAPK14TRPV1HCAR3
SCHEMBL4738200 0.82 GAA (0.51) CXCR2MAPK14CYP3A4PDK1
SCHEMBL3071006 0.82 CACNA1H (0.47) CXCR1CXCR2MAPK14LTB4R2MEN1
SCHEMBL3066549 0.78 BCL2A1 (0.47) MAPK14LTB4R2MEN1KMT2ACYP3A4
SCHEMBL8180174 0.76 PDK1 (0.43) CXCR1CXCR2MAPK14HCAR3HSP90AA1
SCHEMBL3827716 0.76 PDK1 (0.46) CXCR1CXCR2MAPK14HCAR3BCL2A1
SCHEMBL3056261 0.74 POLB (0.41) CXCR1CXCR2LTB4R2MEN1KMT2A
SCHEMBL3048341 0.74 ADORA2A (0.37) MEN1KMT2A

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 CXCR1 2697/4885CXCR2 2621/4885MAPK14 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.