SCHEMBL5219563

SCHEMBL5219563

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNJ6 P48051 11/20 0.36
KCNJ3 P48549 11/20 0.36
KCNJ5 P48544 9/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
ENPP2 Q13822 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL5219567 1.00 NTRK1 (0.41) NTRK1CYP3A4GAACYP2C19KCNJ6
SCHEMBL5222865 0.87 MAPT (0.35) NTRK1KCNJ6KCNJ3KCNJ5MEN1
SCHEMBL5222870 0.87 MAPT (0.35) NTRK1KCNJ6KCNJ3KCNJ5MEN1
SCHEMBL5218970 0.85 CYP3A4 (0.42) NTRK1CYP3A4GAACYP2C19KCNJ6
SCHEMBL5331514 0.83 NTRK1 (0.42) NTRK1CYP3A4GAACYP2C19KCNJ6
SCHEMBL5220580 0.83 CYP3A4 (0.42) NTRK1CYP3A4GAACYP2C19KCNJ6
SCHEMBL5763777 0.82 CYP3A4 (0.42) NTRK1CYP3A4GAACYP2C19KCNJ6
SCHEMBL5221271 0.79 MAPK14 (0.33) MAPK14
SCHEMBL5221282 0.79 MAPK14 (0.33) MAPK14
SCHEMBL5220717 0.79 FPR1 (0.41) GAA

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 NTRK1 3754/4885CYP3A4 2159/4885GAA 2907/4885

“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.