SCHEMBL4582302

SCHEMBL4582302

COC(=O)c1cccc(N(S)C(=O)NC2CCN(c3ccnc4ccc(Cl)cc34)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
PDGFRB P09619 1/20 0.44
CNR2 P34972 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
IDE P14735 3/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 2/20 0.39
CLK1 P49759 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 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
SCHEMBL4581841 0.93 MEN1 (0.48) CNR1PDGFRBMEN1KMT2AKDM4E
SCHEMBL4582518 0.91 CNR1 (0.46) CNR1PDGFRBCNR2MEN1KMT2A
SCHEMBL4583188 0.90 PDGFRB (0.47) PDGFRBMEN1KMT2AALDH1A1IDE
SCHEMBL4583914 0.86 PDGFRB (0.45) PDGFRBMEN1KMT2AALDH1A1IDE
SCHEMBL4582622 0.86 CNR1 (0.40) CNR1CNR2MEN1KMT2AKDM4E
SCHEMBL4583400 0.84 RXFP1 (0.51) MEN1KMT2AKDM4EALDH1A1IDE
SCHEMBL4583794 0.83 CNR1 (0.49) CNR1PDGFRBCNR2
SCHEMBL4582322 0.83 ALDH1A1 (0.54) MEN1KMT2AALDH1A1IDEMAPK1
SCHEMBL4582297 0.81 MAPT (0.47) CNR1PDGFRBMEN1KMT2AALDH1A1
SCHEMBL4582955 0.80 PDGFRB (0.49) PDGFRBMEN1KMT2AKDM4EALDH1A1

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 CNR1 63/4885PDGFRB 129/4885CNR2 35/4885

“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.