SCHEMBL164590

SCHEMBL164590

Cc1cc(C)n(CC(=O)N2CCN(c3ccc(F)cc3-c3cnc(N4CCC(S(C)(=O)=O)CC4)nc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 9/20 0.52
KCNH2 Q12809 2/20 0.52
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
GRM5 P41594 1/20 0.36
GRIN2B Q13224 2/20 0.36
CYP3A4 P08684 1/20 0.35
EIF2AK2 P19525 1/20 0.35
EIF2AK1 Q9BQI3 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3730941 0.90 CXCR3 (0.66) CXCR3KCNH2POLBGRM5ALDH1A1
SCHEMBL167336 0.90 CXCR3 (0.55) CXCR3KCNH2POLBGFERGRM5
SCHEMBL168793 0.89 CXCR3 (0.60) CXCR3KCNH2POLBGFERGRM5
SCHEMBL166781 0.89 CXCR3 (0.52) CXCR3KCNH2
SCHEMBL168743 0.88 CXCR3 (0.58) CXCR3KCNH2POLBGFERGRM5
SCHEMBL178025 0.88 CXCR3 (0.58) CXCR3KCNH2POLBGFERGRIN2B
SCHEMBL3728380 0.86 CXCR3 (0.56) CXCR3KCNH2GRM5GRIN2BALDH1A1
SCHEMBL115763 0.82 ADRA1B (0.41) CXCR3KCNH2GRM5GRIN2BALDH1A1
SCHEMBL22965168 0.82 CXCR3 (0.60) CXCR3KCNH2POLBGFERGRIN2B
SCHEMBL3735474 0.82 CXCR3 (0.70) CXCR3KCNH2POLBGRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US claimed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 1561/4885POLB 2678/4885

“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.