SCHEMBL4582965

SCHEMBL4582965

COC(=O)c1cccc(N(S)C(=O)NC2CCN(c3nccc4ccccc34)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.45
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
HRH4 Q9H3N8 1/20 0.40
BPTF Q12830 1/20 0.39
PAK1 Q13153 1/20 0.39
HTR2C P28335 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
DRD3 P35462 1/20 0.36
CNR1 P21554 1/20 0.36
ACACB O00763 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SORD Q00796 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
SCHEMBL4583340 0.90 MALT1 (0.45) MALT1DRD2DRD4HRH4PAK1
SCHEMBL4581570 0.86 DRD4 (0.42) MALT1DRD2DRD4HRH4PAK1
SCHEMBL4583562 0.86 MALT1 (0.45) MALT1DRD2DRD4HRH4PAK1
SCHEMBL4582622 0.81 CNR1 (0.40) BPTFALDH1A1TP53SMN1; SMN2CCNE1
SCHEMBL4583653 0.81 MAPK14 (0.45) PAK1MCHR1CNR1
SCHEMBL4583794 0.80 CNR1 (0.49) MALT1PAK1CNR1
SCHEMBL4582961 0.80 MALT1 (0.51) MALT1DRD2DRD4BPTF
SCHEMBL4582146 0.79 MAPK14 (0.40) PAK1MCHR1CNR1
SCHEMBL4582302 0.79 CNR1 (0.46) ALDH1A1SMN1; SMN2CCNE1CDK2CNR1
SCHEMBL4581841 0.79 MEN1 (0.48) ALDH1A1SMN1; SMN2CNR1

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-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
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO 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
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor PTGER2, PTGER1, PTGES2 MALT1 628/4885DRD2 1375/4885DRD4 3224/4885

“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.