SCHEMBL4584679

SCHEMBL4584679

FC(F)(F)Oc1ccccc1NC(=S)NC1CCN(c2ncnc3cc(Cl)ccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PDE10A Q9Y233 1/20 0.46
PDGFRB P09619 3/20 0.45
CNR1 P21554 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PAK1 Q13153 1/20 0.40
CNR2 P34972 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL4584191 0.87 KDM4E (0.53) ALDH1A1
SCHEMBL4583402 0.86 CYP1A2 (0.54) CYP1A2CYP2D6PDGFRBALDH1A1LMNA
SCHEMBL4583169 0.84 CYP1A2 (0.53) CYP1A2CYP2D6PDGFRBALDH1A1LMNA
SCHEMBL4583190 0.84 CYP1A2 (0.53) CYP1A2CYP2D6PDGFRBCNR1ALDH1A1
SCHEMBL4584684 0.83 CYP1A2 (0.48) CYP1A2CYP2D6PDE3BPDE3APDE10A
SCHEMBL4583103 0.83 CYP1A2 (0.51) CYP1A2CYP2D6PDGFRBCNR1ALDH1A1
SCHEMBL4582328 0.83 CYP1A2 (0.53) CYP1A2CYP2D6PDGFRBALDH1A1LMNA
SCHEMBL4582522 0.82 KDM4E (0.46) PDGFRB
SCHEMBL4584207 0.82 CYP1A2 (0.56) CYP1A2CYP2D6PDGFRBALDH1A1LMNA
SCHEMBL4582925 0.80 PAK1 (0.57) CYP1A2CYP2D6PDGFRBLMNAPAK1

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
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
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 CYP1A2 88/4885CYP2D6 247/4885PDE3B 1066/4885

“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.