SCHEMBL5221619

SCHEMBL5221619

CCc1nnc(NC(=O)N[C@H](CO)CCN2CC(Sc3ccc(Cl)cc3)C2)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
KLKB1 P03952 1/20 0.42
CTSB P07858 1/20 0.42
ELANE P08246 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5223131 0.84 POLB (0.49) POLBRAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL5338559 0.84 RAB9A (0.49) POLBRAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL5823724 0.84 POLB (0.49) POLBRAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL5227009 0.80 MAPK14 (0.34) POLBSMN1; SMN2KMT2AALDH1A1HSD17B10
SCHEMBL5221796 0.80 MAPT (0.36) POLBLMNAMAPTKMT2AMEN1
SCHEMBL5224539 0.79 HSD17B10 (0.35) SMN1; SMN2KMT2AALDH1A1HSD17B10
SCHEMBL6691951 0.78 RAB9A (0.42) POLBRAB9ALMNASMN1; SMN2MAPT
SCHEMBL6635132 0.77 SMN1; SMN2 (0.43) POLBRAB9ALMNASMN1; SMN2MAPT
SCHEMBL6637339 0.77 RAB9A (0.40) POLBRAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL6636649 0.77 SMN1; SMN2 (0.45) POLBLMNASMN1; SMN2MAPTKMT2A

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 POLB 4260/4885RAB9A 814/4885LMNA 3927/4885

“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.