SCHEMBL4582250

SCHEMBL4582250

O=C(NC1CCN(c2nccc3ccccc23)CC1)N(S)c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
HTR2C P28335 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
PAK1 Q13153 2/20 0.41
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
SORD Q00796 2/20 0.39
DPP4 P27487 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
PHGDH O43175 1/20 0.38
ACACB O00763 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
SCHEMBL4583240 0.88 MALT1 (0.49) HRH4HTR2CMALT1HCAR2PAK1
SCHEMBL4581570 0.84 DRD4 (0.42) HRH4HTR2CMALT1HCAR2PAK1
SCHEMBL4583307 0.81 MAPK14 (0.43) PAK1DRD4
SCHEMBL4583562 0.80 MALT1 (0.45) HRH4HTR2CMALT1HCAR2PAK1
SCHEMBL4583340 0.79 MALT1 (0.45) HRH4HTR2CMALT1HCAR2PAK1
SCHEMBL4583239 0.79 MEN1 (0.40) HTR2CPAK1DRD4DRD2DRD3
SCHEMBL4583089 0.79 KMT2A (0.40) PAK1DRD4
SCHEMBL4583193 0.78 CYP1A2 (0.50) MALT1PAK1
SCHEMBL4582965 0.77 MALT1 (0.45) HRH4HTR2CMALT1HCAR2PAK1
SCHEMBL4582252 0.77 PDGFRB (0.47)

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
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
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 HRH4 44/4885HTR2C 43/4885MALT1 628/4885

“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.