SCHEMBL5222861

SCHEMBL5222861

CCc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2CN2CC(Oc3ccc(Cl)cc3)C2)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.40
CYP2D6 P10635 1/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
CCR1 P32246 1/20 0.38
CCR2 P41597 1/20 0.38
CCR5 P51681 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
SCHEMBL5221857 0.88 NTRK1 (0.45) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5221287 0.88 NTRK1 (0.43) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5223189 0.85 CCR3 (0.42) CCR3
SCHEMBL5220601 0.82 CCR3 (0.48) CCR3
SCHEMBL5224109 0.81 LMNA (0.45) CCR3
SCHEMBL5221849 0.81 POLB (0.48) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5218156 0.78 MAPK14 (0.41)
SCHEMBL5223227 0.77 MAPK14 (0.35)
SCHEMBL5333712 0.77 MAPT (0.36)
SCHEMBL5339678 0.76 HTR2A (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 CCR3 2/4885CYP2D6 1395/4885CXCR1 11/4885

“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.