SCHEMBL5221538

SCHEMBL5221538

CCc1cc(NC(=O)N[C@H](CO)CCN2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ENPP2 Q13822 2/20 0.35
LMNA P02545 1/20 0.35
NTRK1 P04629 2/20 0.33
SRC P12931 1/20 0.31
DDR2 Q16832 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
CRHR1 P34998 1/20 0.31
KCNJ6 P48051 2/20 0.31
KCNJ5 P48544 2/20 0.31

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
SCHEMBL5218970 0.87 CYP3A4 (0.42) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5223980 0.86 MAPK14 (0.36) MAPK14CNR2LMNADRD2HTR2A
SCHEMBL5222865 0.84 MAPT (0.35) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5222870 0.84 MAPT (0.35) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5221796 0.84 MAPT (0.36) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5333712 0.84 MAPT (0.36) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5223997 0.82 KIT (0.37) CNR2KMT2AENPP2
SCHEMBL5761023 0.82 MAPT (0.38) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5223131 0.80 POLB (0.49) MEN1KMT2ALMNA
SCHEMBL5823724 0.80 POLB (0.49) MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 US claimed
EP-1663966-B1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2007-06-20 EP disclosed
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 US 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-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases CCR1, CCR3, CCR9 MAPT 4418/4885MAPK14 2818/4885MAPK13 2064/4885

“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.