SCHEMBL5223510

SCHEMBL5223510

CC(C)(C)OC(=O)N[C@@H](CCN1CC([S+]([O-])c2ccc(Cl)cc2)C1)C(O[SiH2]C(C)(C)C)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.33
DRD2 P14416 5/20 0.33
KCNA3 P22001 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CACNA1B Q00975 1/20 0.31
MMP13 P45452 2/20 0.31
AKT1 P31749 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL5221909 0.85 MMP13 (0.35) CCR5DRD2KCNA3PPARGPPARA
SCHEMBL5220500 0.78 DRD2 (0.38) CCR5DRD2PPARGPPARACACNA1B
SCHEMBL5220496 0.78 DRD2 (0.38) CCR5DRD2PPARGPPARACACNA1B
SCHEMBL5819461 0.78 DRD2 (0.38) CCR5DRD2PPARGPPARACACNA1B
SCHEMBL5336161 0.76 HRH2 (0.39) KCNA3
SCHEMBL5220056 0.75 CTSK (0.40) PPARGPPARA
SCHEMBL5223506 0.75 DRD2 (0.34) CCR5DRD2PPARGPPARACACNA1B
SCHEMBL5223502 0.75 DRD2 (0.34) CCR5DRD2PPARGPPARACACNA1B
SCHEMBL5221721 0.74 AKT1 (0.40) PPARGPPARAAKT1
SCHEMBL5760995 0.65 DRD2 (0.42) DRD2

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 CCR5 8/4885DRD2 221/4885KCNA3 897/4885

“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.