SCHEMBL5220601

SCHEMBL5220601

CCc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2CN2CC(Oc3ccc(Cl)cc3)C2)no1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 17/20 0.48
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL5223189 0.87 CCR3 (0.42) CCR3MEN1HTTKMT2AGAA
SCHEMBL5222861 0.82 CCR3 (0.40) CCR3
SCHEMBL5221849 0.81 POLB (0.48) CCR3MEN1KMT2AGAALMNA
SCHEMBL5224109 0.79 LMNA (0.45) CCR3MEN1KMT2ALMNAMAPT
SCHEMBL5221857 0.78 NTRK1 (0.45) CCR3GAA
SCHEMBL5221287 0.78 NTRK1 (0.43) CCR3GAA
SCHEMBL5222441 0.77 CSF1R (0.39) MEN1HTTKMT2ALMNAMAPT
SCHEMBL5225195 0.77 LMNA (0.35) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5223410 0.75 CCR1 (0.41) CCR3KMT2AALDH1A1
SCHEMBL6620453 0.73 SCN9A (0.35) MEN1KMT2ALMNAMAPTALDH1A1

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 2/4885MEN1 3811/4885HTT 4334/4885

“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.