SCHEMBL4583340

SCHEMBL4583340

COC(=O)c1ccc(N(S)C(=O)NC2CCN(c3nccc4ccccc34)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.45
HRH4 Q9H3N8 1/20 0.42
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
HTR2C P28335 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
PAK1 Q13153 2/20 0.39
DRD3 P35462 1/20 0.38
SORD Q00796 2/20 0.38
ACACB O00763 1/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CNR2 P34972 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL4582965 0.90 MALT1 (0.45) MALT1HRH4DRD2DRD4HTR2C
SCHEMBL4583562 0.81 MALT1 (0.45) MALT1HRH4DRD2DRD4HTR2C
SCHEMBL4583335 0.81 MEN1 (0.55) MALT1
SCHEMBL4581570 0.81 DRD4 (0.42) MALT1HRH4DRD2DRD4HTR2C
SCHEMBL4582059 0.80 CNR1 (0.38) DRD2DRD4HTR2CDRD3CCNE1
SCHEMBL4583240 0.79 MALT1 (0.49) MALT1HRH4DRD2DRD4HTR2C
SCHEMBL4582250 0.79 HRH4 (0.42) MALT1HRH4DRD2DRD4HTR2C
SCHEMBL4583032 0.78 MAPK14 (0.43) PAK1
SCHEMBL4583933 0.77 CNR1 (0.49) MALT1PAK1CNR2
SCHEMBL4584007 0.77 OPRK1 (0.38) PAK1

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 MALT1 628/4885HRH4 44/4885DRD2 1375/4885

“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.