SCHEMBL5218248

SCHEMBL5218248

CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CC(Oc2ccc(Cl)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.57
PDE4B Q07343 2/20 0.41
KDM1A O60341 1/20 0.40
EPHX2 P34913 1/20 0.39
CACNA1B Q00975 2/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNG1 Q06432 1/20 0.38
CACNB2 Q08289 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL5223410 0.81 CCR1 (0.41) CCR1PDE4BKDM1AEPHX2CACNA1B
SCHEMBL28718193 0.78 KDM1A (0.40) CCR1KDM1AEPHX2CACNA1BCACNB4
SCHEMBL13137376 0.74 CCR1 (0.96) CCR1
SCHEMBL13968163 0.74 CCR1 (0.67) CCR1
SCHEMBL13606430 0.74 CCR1 (0.67) CCR1
SCHEMBL9913805 0.73 KDM1A (0.47) KDM1AEPHX2CACNA1BCACNB4CACNA1A
SCHEMBL9913881 0.73 KDM1A (0.47) KDM1AEPHX2CACNA1BCACNB4CACNA1A
SCHEMBL13137381 0.72 CCR1 (1.00) CCR1
SCHEMBL5220841 0.72 RBP4 (0.43) CCR1EPHX2CACNA1BCACNB4CACNA1A
SCHEMBL21436867 0.71 GPR119 (0.57) CACNA1BCACNB4CACNA1ACACNA1GCACNG3

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 1/4885PDE4B 1327/4885KDM1A 1474/4885

“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.