SCHEMBL5218970

SCHEMBL5218970

Cn1nc(C2CC2)cc1NC(=O)N[C@H](CO)CCN1CC(S(=O)(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
NTRK1 P04629 1/20 0.41
KCNJ6 P48051 11/20 0.37
KCNJ3 P48549 11/20 0.37
KCNJ5 P48544 10/20 0.37
MAPT P10636 3/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP2 Q13822 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5221538 0.87 MAPT (0.38) NTRK1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL5219567 0.85 NTRK1 (0.41) CYP3A4GAACYP2C19NTRK1KCNJ6
SCHEMBL5219563 0.85 NTRK1 (0.41) CYP3A4GAACYP2C19NTRK1KCNJ6
SCHEMBL5331514 0.84 NTRK1 (0.42) CYP3A4GAACYP2C19NTRK1KCNJ6
SCHEMBL5220580 0.84 CYP3A4 (0.42) CYP3A4GAACYP2C19NTRK1KCNJ6
SCHEMBL5223980 0.78 MAPK14 (0.36) MAPK14CNR2DRD2HTR2AHTR2C
SCHEMBL5455229 0.78 IDH1 (0.41) CYP3A4GAACYP2C19
SCHEMBL5223997 0.78 KIT (0.37) CNR2KMT2AENPP2
SCHEMBL6637614 0.77 NTRK1 (0.42) CYP3A4GAACYP2C19NTRK1KCNJ6
SCHEMBL6633908 0.77 NTRK1 (0.41) CYP3A4GAACYP2C19NTRK1KCNJ6

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 5 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
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 CYP3A4 2159/4885GAA 2907/4885CYP2C19 1112/4885

“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.