SCHEMBL5221796

SCHEMBL5221796

CCc1cc(NC(=O)N[C@H](CO)CCN2CC(Sc3ccc(Cl)cc3)C2)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
ENPP2 Q13822 2/20 0.35
CNR2 P34972 1/20 0.32
POLB P06746 1/20 0.32
NTRK1 P04629 2/20 0.32
LMNA P02545 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADCY8 P40145 1/20 0.30
ADCY1 Q08828 1/20 0.30
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
SCHEMBL5220580 0.87 CYP3A4 (0.42) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5227009 0.86 MAPK14 (0.34) MAPK14KMT2ACNR2POLBALDH1A1
SCHEMBL5221538 0.84 MAPT (0.38) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5333712 0.84 MAPT (0.36) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5222870 0.83 MAPT (0.35) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5222865 0.83 MAPT (0.35) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5224539 0.82 HSD17B10 (0.35) KMT2AENPP2ALDH1A1
SCHEMBL5762925 0.81 MAPT (0.36) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL5221619 0.80 POLB (0.49) MAPTKMT2AMEN1POLBLMNA
SCHEMBL5220112 0.79 FPR1 (0.41)

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 MAPT 4418/4885MAPK14 2818/4885MAPK13 2064/4885

“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.