SCHEMBL2269089

SCHEMBL2269089

CN1CCN(CCC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.69
CACNA1I Q9P0X4 2/20 0.47
KCNH2 Q12809 1/20 0.47
WDR5 P61964 1/20 0.45
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
F10 P00742 1/20 0.43
SLC2A1 P11166 1/20 0.43
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
USP2 O75604 3/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41

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
SCHEMBL2272173 0.97 CXCR3 (0.65) CXCR3CACNA1IKCNH2WDR5DRD2
SCHEMBL2221700 0.92 CXCR3 (0.68) CXCR3CACNA1IKCNH2USP2KMT2A
SCHEMBL2267308 0.92 CXCR3 (0.70) CXCR3CACNA1IKCNH2DRD2DRD3
SCHEMBL2268257 0.92 CXCR3 (0.70) CXCR3CACNA1IKCNH2DRD2DRD3
SCHEMBL12515715 0.91 CXCR3 (0.67) CXCR3CACNA1IKCNH2WDR5KMT2A
SCHEMBL2271450 0.91 CXCR3 (0.69) CXCR3CACNA1IKCNH2F10KMT2A
SCHEMBL2268321 0.91 CXCR3 (0.66) CXCR3CACNA1IKCNH2USP2KMT2A
SCHEMBL2223061 0.90 CXCR3 (0.68) CXCR3CACNA1IKCNH2WDR5F10
SCHEMBL2277301 0.89 CXCR3 (0.64) CXCR3CACNA1IKCNH2DRD2USP2
SCHEMBL2267624 0.89 CXCR3 (0.68) CXCR3CACNA1IKCNH2SLC2A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
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 1/4885CACNA1I 2871/4885KCNH2 1587/4885

“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.