SCHEMBL5223942

SCHEMBL5223942

CCc1nnc(NC(=O)NC2(CCN3CC(Oc4ccc(Cl)cc4)C3)CCC2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 4/20 0.42
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 6/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
ELANE P08246 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL5444501 0.84 NPC1 (0.33) RAB9ANPC1LMNAKMT2AMEN1
SCHEMBL5332175 0.81 RAB9A (0.51) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL5223227 0.81 MAPK14 (0.35) MAPTALDH1A1KMT2AMEN1
SCHEMBL5225328 0.80 POLB (0.50) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL5224271 0.80 MEN1 (0.35) MAPTLMNAKMT2AMEN1
SCHEMBL5218916 0.80 ALDH1A1 (0.43) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL5225195 0.80 LMNA (0.35) RAB9AMAPTNPC1LMNAKMT2A
SCHEMBL5338559 0.80 RAB9A (0.49) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL5221849 0.77 POLB (0.48) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL5223217 0.77 DRD2 (0.43) 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 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 RAB9A 814/4885POLB 4260/4885MAPT 4418/4885

“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.