SCHEMBL4582622

SCHEMBL4582622

COC(=O)c1cccc(N(S)C(=O)NC2CCN(c3ccnc4c(Cl)cccc34)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
BPTF Q12830 1/20 0.37
SMO Q99835 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3R2 O00459 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4582059 0.92 CNR1 (0.38) CNR1NR1H2NR1H3CCNE1CDK2
SCHEMBL4582419 0.88 ALDH1A1 (0.40) CCNE1CDK2ALDH1A1MEN1KMT2A
SCHEMBL4583465 0.86 KMT2A (0.38) ALDH1A1MEN1KMT2APIK3R2POLB
SCHEMBL4582302 0.86 CNR1 (0.46) CNR1CCNE1CDK2ALDH1A1SMN1; SMN2
SCHEMBL4581841 0.86 MEN1 (0.48) CNR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4582965 0.81 MALT1 (0.45) CNR1CCNE1CDK2BPTFALDH1A1
SCHEMBL4581745 0.81 MEN1 (0.43) SMOALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4582617 0.81 MAPT (0.49) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL4583239 0.78 MEN1 (0.40) SMOSMN1; SMN2MEN1KMT2APOLB
SCHEMBL4583794 0.77 CNR1 (0.49) CNR1ROCK2PRKACAPRKACGPRKACB

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 CNR1 63/4885NR1H2 380/4885NR1H3 526/4885

“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.