SCHEMBL5224982

SCHEMBL5224982

O=C(ON1CC(Cc2ccc(Cl)cc2)C1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.37
PLA2G7 Q13093 1/20 0.37
MGLL Q99685 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 2/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
TRPA1 O75762 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3171393 0.88 ALDH1A1 (0.48) ALDH1A1TSHRGMNNTP53CYP3A4
SCHEMBL27615605 0.86 CYP1A2 (0.39) S1PR5ALDH1A1TSHRCYP3A4NFKB1
SCHEMBL17542044 0.86 CYP2C9 (0.43) ALDH1A1POLBLMNAGAA
SCHEMBL2301824 0.84 SCN9A (0.38) S1PR5PLA2G7MGLLABHD6NPSR1
SCHEMBL23455779 0.78 MGLL (0.37) MGLLALDH1A1POLBSMN1; SMN2
SCHEMBL1760845 0.76 ALDH1A1 (0.47) ALDH1A1TSHRGMNNTP53CYP3A4
SCHEMBL2287592 0.75 SLC6A4 (0.55)
SCHEMBL2282636 0.72 SLC6A4 (0.58)
SCHEMBL5220425 0.72 MEN1 (0.50) ALDH1A1NPSR1SMN1; SMN2LMNAGAA
SCHEMBL15019574 0.72

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288537-B2 Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2007-10-30 US disclosed
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
CN-1849302-A 1, 3-disubstituted azetidine derivatives useful as CCR-3 receptor antagonists in the treatment of inflammatory and allergic diseases NOVARTIS AG (CH) 2006-10-18 CN 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
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists NOVARTIS AG (CH) 2005-10-06 US disclosed
CN-1638761-A Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2005-07-13 CN 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
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 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 (2 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-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists CCR3, CCR1, CCR9 S1PR5 251/4885PLA2G7 3097/4885MGLL 4723/4885
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 S1PR5 287/4885PLA2G7 3079/4885MGLL 4797/4885

“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.