SCHEMBL5223410

SCHEMBL5223410

CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CN1CC(Oc2ccc(Cl)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
KDM1A O60341 1/20 0.40
CACNA1B Q00975 1/20 0.39
PDE4B Q07343 3/20 0.39
CCR3 P51677 3/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP14 P54578 1/20 0.37
EPHX2 P34913 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL5218248 0.81 CCR1 (0.57) CCR1KDM1ACACNA1BPDE4BEPHX2
SCHEMBL29424972 0.78 ALDH1A1 (0.47) CCR1KDM1AKMT2AL3MBTL1ALDH1A1
SCHEMBL5221849 0.77 POLB (0.48) CCR1CCR3KMT2AALDH1A1TDP1
SCHEMBL5224109 0.76 LMNA (0.45) CCR3KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL5221857 0.75 NTRK1 (0.45) CCR1CCR3
SCHEMBL5220601 0.75 CCR3 (0.48) CCR3KMT2AALDH1A1
SCHEMBL5222861 0.75 CCR3 (0.40) CCR1CCR3
SCHEMBL14394401 0.74 EPHX1 (0.43) CCR3KMT2AL3MBTL1DRD2
SCHEMBL14368650 0.74 EPHX1 (0.43) CCR3KMT2AL3MBTL1DRD2
SCHEMBL5221287 0.74 NTRK1 (0.43) CCR1CCR3

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
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 CCR1 1/4885KDM1A 1474/4885CACNA1B 1740/4885

“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.