SCHEMBL4494296

SCHEMBL4494296

COc1ccc(Cl)c(N2CCC(N)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
SUV39H2 Q9H5I1 11/20 0.42
MAT2A P31153 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HTR3A P46098 2/20 0.39
HRH4 Q9H3N8 2/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
MEN1 O00255 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR3D Q70Z44 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
SCHEMBL4494286 1.00 AKT1 (0.43) AKT1SUV39H2MAT2AMKNK1MKNK2
SCHEMBL4490992 0.92 HTR3E (0.43) SUV39H2HTR3APIM1HTR3EMEN1
SCHEMBL3878732 0.77 MAPK13 (0.41) SUV39H2HRH4
SCHEMBL3878731 0.77 MAPK13 (0.41) SUV39H2HRH4
SCHEMBL1351413 0.74 HTR3E (0.50) SUV39H2HTR3AHRH4PIM1PIM3
SCHEMBL1351418 0.74 HTR3E (0.50) SUV39H2HTR3AHRH4PIM1PIM3
SCHEMBL3636416 0.73 CYP2C19 (0.54) HRH4PIM2
SCHEMBL3634872 0.73 CYP2C19 (0.54) HRH4PIM2
SCHEMBL1222688 0.73 CYP2C19 (0.54) HRH4PIM2
SCHEMBL9049074 0.71 AKT1 (0.54) AKT1MAT2AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1603899-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
WO-2004078749-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ AKT1 3958/4885SUV39H2 985/4885MAT2A 3489/4885

“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.