SCHEMBL5225078

SCHEMBL5225078

O=C(c1ccc(Cl)cc1)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CACNA2D1 P54289 6/20 0.48
CACNB1 Q02641 6/20 0.48
CACNA1B Q00975 5/20 0.48
CACNA1C Q13936 4/20 0.48
CACNA1G O43497 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CACNA1A O00555 1/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
BCL2 P10415 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47

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
SCHEMBL3300275 0.94 MGLL (0.51) MGLLMEN1KMT2ACACNA2D1CACNB1
SCHEMBL3299615 0.89 MAOB (0.53) KMT2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL7257984 0.85 HSD11B1 (0.51) MEN1KMT2ACACNA2D1CACNB1CACNA1B
SCHEMBL3297616 0.81 GPX4 (0.43) MGLLALDH1A1
SCHEMBL3296944 0.80 SLC6A9 (0.53) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL1528939 0.79 MGLL (0.44) MGLLCYP2D6
SCHEMBL85386 0.77 ALDH1A1 (0.54) MGLLMEN1KMT2ACACNA2D1CACNB1
Hydrochloric Acid SCHEMBL4509686 0.76 ALDH1A1 (0.50) MEN1KMT2ACACNA2D1CACNB1CACNA1B
SCHEMBL20594076 0.76 KMT2A (0.57) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2197918 0.76 OPRD1 (0.44) MEN1KMT2AALDH1A1OPRM1OPRD1

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 9 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
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 MGLL 4723/4885MEN1 2078/4885KMT2A 3058/4885
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 MGLL 4797/4885MEN1 3811/4885KMT2A 2962/4885

“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.