SCHEMBL5227009

SCHEMBL5227009

CCc1cc(NC(=O)N[C@H](CO)CCN2CC(Sc3ccc(Cl)cc3)C2)on1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.34
USP30 Q70CQ3 2/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 3/20 0.32
CNR1 P21554 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MME P08473 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PROKR1 Q8TCW9 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
SCHEMBL5224539 0.87 HSD17B10 (0.35) ALDH1A1KMT2AHSD17B10SMN1; SMN2
SCHEMBL5221796 0.86 MAPT (0.36) MAPK14ALDH1A1KMT2ACNR2POLB
SCHEMBL5223980 0.84 MAPK14 (0.36) MAPK14USP30CNR2CNR1MME
SCHEMBL5221282 0.83 MAPK14 (0.33) MAPK14USP30CNR2CNR1MME
SCHEMBL5221271 0.83 MAPK14 (0.33) MAPK14USP30CNR2CNR1MME
SCHEMBL5762084 0.80 MAPK14 (0.35) MAPK14USP30KMT2ACNR2CNR1
SCHEMBL5221619 0.80 POLB (0.49) ALDH1A1KMT2AHSD17B10POLBSMN1; SMN2
SCHEMBL5220112 0.79 FPR1 (0.41) CNR1
SCHEMBL5220580 0.78 CYP3A4 (0.42) MAPK14KMT2AGAAPOLB
SCHEMBL5219319 0.77 DRD2 (0.40) ALDH1A1GAAPOLBSMN1; SMN2

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 MAPK14 2818/4885USP30 1097/4885ALDH1A1 1419/4885

“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.