SCHEMBL5223980

SCHEMBL5223980

CCc1cc(NC(=O)N[C@H](CO)CCN2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)on1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.36
CNR2 P34972 3/20 0.34
CNR1 P21554 1/20 0.34
MME P08473 1/20 0.33
USP30 Q70CQ3 2/20 0.33
CTSS P25774 1/20 0.32
EGFR P00533 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 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
LMNA P02545 1/20 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
SCHEMBL5223997 0.87 KIT (0.37) CNR2CNR1KDR
SCHEMBL5221538 0.86 MAPT (0.38) MAPK14CNR2DRD2HTR2AHTR2C
SCHEMBL5221282 0.84 MAPK14 (0.33) MAPK14CNR2CNR1MMEUSP30
SCHEMBL5221271 0.84 MAPK14 (0.33) MAPK14CNR2CNR1MMEUSP30
SCHEMBL5227009 0.84 MAPK14 (0.34) MAPK14CNR2CNR1MMEUSP30
SCHEMBL5761751 0.81 MAPK14 (0.37) MAPK14CNR2CNR1USP30HTR2A
SCHEMBL5223131 0.80 POLB (0.49) LMNA
SCHEMBL5823724 0.80 POLB (0.49) LMNA
SCHEMBL5455229 0.79 IDH1 (0.41) CNR1
SCHEMBL5218970 0.78 CYP3A4 (0.42) MAPK14CNR2DRD2HTR2AHTR2C

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 MAPK14 2818/4885CNR2 129/4885CNR1 54/4885

“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.