SCHEMBL5752633

SCHEMBL5752633

O=C(Nc1ccc(-c2ccn(CC3CCOCC3)c(=O)c2)c2ccccc12)NC1CC1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.39
PI4KB Q9UBF8 4/20 0.39
PIK3CG P48736 3/20 0.39
PIK3CD O00329 1/20 0.39
CNR2 P34972 9/20 0.38
CNR1 P21554 8/20 0.38
SHMT2 P34897 2/20 0.35
PIP5K1C O60331 1/20 0.34
CDK9 P50750 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX1 P07099 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL5757762 0.85 PI4KA (0.38) PI4KAPI4KBPIK3CGPIK3CDCNR2
SCHEMBL6588782 0.82 EPHX1 (0.38) SHMT2CHRM2CHRM1CHRM3EPHX1
SCHEMBL5753008 0.74 MAPK14 (0.56) CNR2CNR1CHRM2CHRM1CHRM3
SCHEMBL6587557 0.73 EPHX1 (0.38) SHMT2CHRM2CHRM1CHRM3EPHX1
SCHEMBL5753105 0.73 MAPK14 (0.56) CHRM2CHRM1CHRM3
SCHEMBL6585322 0.72 KDM4E (0.45) CNR2CNR1EPHX1
SCHEMBL6587109 0.69 MAPK14 (0.57)
SCHEMBL28976848 0.67 PI4KA (0.54) PI4KAPI4KBPIK3CGPIK3CDCNR2
SCHEMBL6587531 0.66 MAPK14 (0.40)
SCHEMBL6583491 0.66 KDR (0.39) EPHX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100608-A1 1,4-disubstituted benzo-fused cycloalkyl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-29 US claimed
EP-1414810-B1 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMA (US) 2006-08-30 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-20030100608-A1 1,4-disubstituted benzo-fused cycloalkyl urea compounds MPO, NFKBIA, YBX1 PI4KA 3023/4885PI4KB 1943/4885PIK3CG 4377/4885

“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.