SCHEMBL2276808

SCHEMBL2276808

O=C(Nc1cc(Cl)cnc1N1CCC(C(=O)O)CC1)c1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.63
F10 P00742 4/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NOTUM Q6P988 1/20 0.47
KCNMA1 Q12791 1/20 0.46
MPL P40238 3/20 0.46
MALT1 Q9UDY8 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCNQ5 Q9NR82 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2272624 0.89 CXCR3 (0.60) CXCR3MEN1KMT2AKCNMA1MALT1
SCHEMBL2272082 0.89 CXCR3 (0.60) CXCR3MEN1KMT2AKCNMA1MALT1
SCHEMBL2265284 0.88 CXCR3 (0.59) CXCR3MEN1KMT2AKCNMA1MALT1
SCHEMBL2272797 0.87 CXCR3 (0.58) CXCR3F10MEN1KMT2AKCNMA1
SCHEMBL12516581 0.87 CXCR3 (0.67) CXCR3MEN1KMT2AKCNMA1LMNA
SCHEMBL2267018 0.86 CXCR3 (0.68) CXCR3MEN1KMT2AKCNMA1LMNA
SCHEMBL12516567 0.86 CXCR3 (0.57) CXCR3MEN1KMT2AKCNMA1MALT1
SCHEMBL2272627 0.86 CXCR3 (0.57) CXCR3MEN1KMT2AKCNMA1MALT1
SCHEMBL12515722 0.85 CXCR3 (0.72) CXCR3MEN1KMT2AKCNMA1LMNA
SCHEMBL2267498 0.85 CXCR3 (0.72) CXCR3MEN1KMT2AKCNMA1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885F10 1592/4885MEN1 3640/4885

“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.