SCHEMBL5225328

SCHEMBL5225328

CCc1nnc(NC(=O)NC(C)(C)CCN2CC(Oc3ccc(Cl)cc3)C2)s1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KLKB1 P03952 1/20 0.44
CTSB P07858 1/20 0.44
ELANE P08246 1/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL5332175 0.83 RAB9A (0.51) POLBRAB9AALDH1A1GAALMNA
SCHEMBL5338559 0.82 RAB9A (0.49) POLBRAB9AALDH1A1GAALMNA
SCHEMBL5223942 0.80 RAB9A (0.48) POLBRAB9AALDH1A1GAALMNA
SCHEMBL5222441 0.79 CSF1R (0.39) LMNAMEN1KMT2AMAPT
SCHEMBL5222998 0.79 ALDH1A1 (0.47) POLBRAB9AALDH1A1GAALMNA
SCHEMBL5222098 0.79 MAPT (0.39) LMNAMEN1KMT2AMAPT
SCHEMBL5221849 0.78 POLB (0.48) POLBRAB9AALDH1A1GAALMNA
SCHEMBL5223671 0.76 CYP3A4 (0.48) POLBGAAMEN1KMT2AMAPT
SCHEMBL5222409 0.75 CYP3A4 (0.44) POLBGAAMEN1KMT2AMAPT
SCHEMBL6634303 0.73 MAPT (0.46) POLBRAB9AALDH1A1LMNAMEN1

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 814/4885ALDH1A1 1419/4885

“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.