SCHEMBL2275428

SCHEMBL2275428

CN1CCCN(C(=O)CC2CCN(c3ncc(-c4ccncc4)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.51
FNTA P49354 8/20 0.40
FNTB P49356 8/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C18 P33260 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
F10 P00742 2/20 0.40
WDR5 P61964 3/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL2222624 0.94 CXCR3 (0.49) CXCR3FNTAFNTBCYP1A2CYP2C19
SCHEMBL2267406 0.93 CXCR3 (0.55) CXCR3FNTAFNTBF10
SCHEMBL2278342 0.90 CXCR3 (0.58) CXCR3FNTAFNTBCYP1A2CYP2C19
SCHEMBL12515554 0.88 CXCR3 (0.50) CXCR3FNTAFNTBWDR5
SCHEMBL2275602 0.88 CXCR3 (0.50) CXCR3FNTAFNTBWDR5
SCHEMBL2362379 0.87 CXCR3 (0.54) CXCR3FNTAFNTBF10WDR5
SCHEMBL2269078 0.86 CXCR3 (0.48) CXCR3FNTAFNTBWDR5
SCHEMBL2269437 0.86 CXCR3 (0.48) CXCR3
SCHEMBL2267627 0.86 CXCR3 (0.50) CXCR3FNTAFNTBWDR5
SCHEMBL2271334 0.85 CXCR3 (0.48) CXCR3FNTAFNTB

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-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

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 1/4885FNTA 3491/4885FNTB 2272/4885

“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.