SCHEMBL4583933

SCHEMBL4583933

COC(=O)c1ccc(N(S)C(=O)NC2CCN(c3ncnc4cc(Cl)ccc34)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.49
CNR2 P34972 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
SUV39H1 O43463 2/20 0.42
PRMT1 Q99873 2/20 0.42
SMYD3 Q9H7B4 2/20 0.42
PAK1 Q13153 3/20 0.41
PDGFRB P09619 6/20 0.41
PDGFRA P16234 2/20 0.40
MALT1 Q9UDY8 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL4583794 0.91 CNR1 (0.49) CNR1CNR2CYP1A2CYP2D6SUV39H1
SCHEMBL4583400 0.87 RXFP1 (0.51)
SCHEMBL4582930 0.85 CYP1A2 (0.53) CNR1CNR2CYP1A2CYP2D6SUV39H1
SCHEMBL4582848 0.82 CYP1A2 (0.49) CNR1CNR2CYP1A2CYP2D6SUV39H1
SCHEMBL4582518 0.82 CNR1 (0.46) CNR1CNR2PDGFRB
SCHEMBL4583930 0.82 CYP1A2 (0.52) CNR1CNR2CYP1A2CYP2D6SUV39H1
SCHEMBL4583403 0.81 CYP1A2 (0.52) CNR1CNR2CYP1A2CYP2D6SUV39H1
SCHEMBL4583193 0.79 CYP1A2 (0.50) CNR1CNR2CYP1A2CYP2D6SUV39H1
SCHEMBL4581841 0.78 MEN1 (0.48) CNR1PDGFRB
SCHEMBL4020884 0.77 PAK1 (0.63) CNR1CNR2CYP1A2CYP2D6SUV39H1

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
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

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 CNR1 63/4885CNR2 35/4885CYP1A2 88/4885

“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.