SCHEMBL5220841

SCHEMBL5220841

CC(C)(CC(=O)N1CC(Oc2ccc(Cl)cc2)C1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.43
NAMPT P43490 3/20 0.42
CCR1 P32246 1/20 0.38
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
CACNA1E Q15878 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
SCHEMBL5225147 0.78 P2RX7 (0.39) RBP4NAMPTCCR1CACNA1BDRD2
SCHEMBL6585960 0.75 EPHX2 (0.47) RBP4NAMPTEPHX2
SCHEMBL16838921 0.73 ACACB (0.43) DRD2GAA
SCHEMBL20196993 0.73 ACACB (0.43) DRD2GAA
SCHEMBL5331915 0.73 CACNA1B (0.57) CCR1CACNA1B
SCHEMBL5331911 0.73 CACNA1B (0.57) CCR1CACNA1B
SCHEMBL6620958 0.72 DRD2 (0.46) CACNA1BDRD2GAASMN1; SMN2
SCHEMBL5335904 0.72 DRD2 (0.41) CACNA1BDRD2
SCHEMBL6685625 0.72 DRD2 (0.41) CACNA1BDRD2
SCHEMBL5218248 0.72 CCR1 (0.57) CCR1CACNA1BCACNB4CACNA1ACACNA1G

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 4 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
EP-1663966-A1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005026113-A1 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2005-03-24 WO 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 RBP4 2830/4885NAMPT 4778/4885CCR1 1/4885

“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.