SCHEMBL4581570

SCHEMBL4581570

O=C(NC1CCN(c2nccc3ccccc23)CC1)N(S)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.42
MALT1 Q9UDY8 1/20 0.42
PAK1 Q13153 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
HTR2C P28335 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
NPY5R Q15761 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
SORD Q00796 2/20 0.37
PHGDH O43175 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
SCHEMBL4583562 0.89 MALT1 (0.45) DRD4MALT1PAK1HRH4HTR2C
SCHEMBL4582965 0.86 MALT1 (0.45) DRD4MALT1PAK1HRH4HTR2C
SCHEMBL4582250 0.84 HRH4 (0.42) DRD4MALT1PAK1HRH4HTR2C
SCHEMBL4584121 0.83 MAPK14 (0.46) DRD4PAK1NPY5RKMT2A
SCHEMBL4583340 0.81 MALT1 (0.45) DRD4MALT1PAK1HRH4HTR2C
SCHEMBL4583873 0.81 MAPK14 (0.40) DRD4PAK1NPY5RKMT2A
SCHEMBL4583240 0.80 MALT1 (0.49) DRD4MALT1PAK1HRH4HTR2C
SCHEMBL4583465 0.80 KMT2A (0.38) DRD4HTR2CNPY5RDRD2DRD3
SCHEMBL4582848 0.79 CYP1A2 (0.49) PAK1
SCHEMBL4583914 0.78 PDGFRB (0.45) KMT2A

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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor PTGER2, PTGER1, PTGES2 DRD4 3224/4885MALT1 628/4885PAK1 1907/4885

“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.