SCHEMBL4004607

SCHEMBL4004607

CC(C)(F)c1nc(N)nc(NC(CCCc2ccccc2)C2CCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
HRH4 Q9H3N8 1/20 0.35
MMP2 P08253 8/20 0.34
MMP3 P08254 4/20 0.34
CACNA2D1 P54289 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL1551807 0.96 HTR7 (0.42) HTR7HRH4MMP2MMP3CACNA2D1
SCHEMBL1552520 0.96 HTR7 (0.42) HTR7HRH4MMP2MMP3CACNA2D1
SCHEMBL1551811 0.96 HTR7 (0.42) HTR7HRH4MMP2MMP3CACNA2D1
SCHEMBL1551285 0.94 HTR7 (0.38) HTR7HRH4
SCHEMBL1552281 0.94 HTR7 (0.38) HTR7HRH4
SCHEMBL1551284 0.94 HTR7 (0.38) HTR7HRH4
SCHEMBL7785412 0.83 IDH1 (0.30) HRH4
SCHEMBL6170779 0.83 IDH1 (0.30) HRH4
SCHEMBL6726288 0.81 HTR7 (0.39) HTR7CYP2D6
SCHEMBL6730951 0.81 HTR7 (0.39) HTR7CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007013-A1 HERBICIDE COMBINATIONS COMPRISING SPECIFIC 3-(2-ALKOXY-4-CHLORO-6-ALKYL-PHENYL)-SUBSTITUTED TETRAMATES BAYER CROPSCIENCE AG (DE) 2009-01-15 WO claimed
EP-2014170-A1 Herbicide combinations with special 3-(2-alkoxy 4-chlorine-6-alkyl-phenyl) substituted tetramates Bayer CropScience AG (DE) 2009-01-14 EP claimed
US-20110152082-A1 LIQUID FORMULATIONS BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
WO-2009007013-A1 HERBICIDE COMBINATIONS COMPRISING SPECIFIC 3-(2-ALKOXY-4-CHLORO-6-ALKYL-PHENYL)-SUBSTITUTED TETRAMATES BAYER CROPSCIENCE AG (DE) 2009-01-15 WO disclosed
EP-2014170-A1 Herbicide combinations with special 3-(2-alkoxy 4-chlorine-6-alkyl-phenyl) substituted tetramates Bayer CropScience AG (DE) 2009-01-14 EP 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-20110152082-A1 LIQUID FORMULATIONS CBX3, CBX6, IPO11 HTR7 3012/4885HRH4 3880/4885MMP2 2890/4885

“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.