SCHEMBL5224271

SCHEMBL5224271

CCc1cc(NC(=O)NC2(CCN3CC(Oc4ccc(Cl)cc4)C3)CCC2)on1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK14 Q16539 3/20 0.33
ACACB O00763 4/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
FAAH O00519 1/20 0.32
HRH1 P35367 1/20 0.31
CCR3 P51677 1/20 0.31
EPHX2 P34913 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL5225195 0.87 LMNA (0.35) MEN1KMT2ATDP1HTR2AHTR2C
SCHEMBL5223227 0.86 MAPK14 (0.35) MEN1KMT2AMAPK14HTR2AHTR2C
SCHEMBL5222098 0.80 MAPT (0.39) MEN1KMT2ATDP1MAPK14ACACB
SCHEMBL5223942 0.80 RAB9A (0.48) MEN1KMT2AMAPTLMNA
SCHEMBL5444501 0.79 NPC1 (0.33) MEN1KMT2ALMNAHRH1CCR3
SCHEMBL5221852 0.78 CYP3A4 (0.41) MEN1KMT2AMAPK14ACACBHTR2A
SCHEMBL5218916 0.78 ALDH1A1 (0.43) MEN1KMT2AMAPTLMNA
SCHEMBL5447025 0.78 KCNJ6 (0.39) MEN1KMT2AMAPK14HTR2AHTR2C
SCHEMBL5223189 0.77 CCR3 (0.42) MEN1KMT2AMAPTLMNACCR3
SCHEMBL5223217 0.75 DRD2 (0.43) HSD11B1

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 MEN1 3811/4885KMT2A 2962/4885TDP1 4586/4885

“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.