SCHEMBL5223502

SCHEMBL5223502

CC(C)(C)OC(=O)N[C@@H](CCN1CC([S+]([O-])c2ccc(Cl)cc2)C1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.34
CCR5 P51681 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CACNA1B Q00975 1/20 0.33
MMP13 P45452 1/20 0.33
ATM Q13315 1/20 0.33
SCN9A Q15858 2/20 0.33
AKT1 P31749 1/20 0.33
P2RY2 P41231 1/20 0.32

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
SCHEMBL5223506 1.00 DRD2 (0.34) DRD2CCR5PPARGPPARACACNA1B
SCHEMBL5221902 0.85 PPARG (0.36) DRD2CCR5PPARGPPARACACNA1B
SCHEMBL5220496 0.83 DRD2 (0.38) DRD2CCR5PPARGPPARACACNA1B
SCHEMBL5819461 0.83 DRD2 (0.38) DRD2CCR5PPARGPPARACACNA1B
SCHEMBL5220500 0.83 DRD2 (0.38) DRD2CCR5PPARGPPARACACNA1B
SCHEMBL5335044 0.77 HRH2 (0.41) PPARGPPARASCN9A
SCHEMBL5220048 0.75 ATM (0.45) PPARGPPARAATM
SCHEMBL31232348 0.75 ATM (0.45) PPARGPPARAATM
SCHEMBL5223510 0.75 CCR5 (0.33) DRD2CCR5PPARGPPARACACNA1B
SCHEMBL15434331 0.74 ATM (0.42) PPARGPPARAATM

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 DRD2 221/4885CCR5 8/4885PPARG 1224/4885

“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.