SCHEMBL167336

SCHEMBL167336

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 9/20 0.55
KCNH2 Q12809 2/20 0.55
GRM5 P41594 2/20 0.40
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
GRIN2B Q13224 3/20 0.38
EIF2AK3 Q9NZJ5 2/20 0.37
CYP3A4 P08684 1/20 0.37
EIF2AK2 P19525 1/20 0.37
EIF2AK1 Q9BQI3 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL168793 0.92 CXCR3 (0.60) CXCR3KCNH2GRM5POLBGFER
SCHEMBL168743 0.91 CXCR3 (0.58) CXCR3KCNH2GRM5POLBGFER
SCHEMBL164590 0.90 CXCR3 (0.52) CXCR3KCNH2GRM5POLBGFER
SCHEMBL3735480 0.90 CXCR3 (0.70) CXCR3KCNH2GRM5POLBTP53
SCHEMBL3728380 0.89 CXCR3 (0.56) CXCR3KCNH2GRM5GRIN2B
SCHEMBL178025 0.85 CXCR3 (0.58) CXCR3KCNH2POLBGFERGRIN2B
SCHEMBL22965168 0.85 CXCR3 (0.60) CXCR3KCNH2POLBGFERGRIN2B
SCHEMBL3729670 0.85 CXCR3 (0.68) CXCR3KCNH2POLBTP53
SCHEMBL15911426 0.85 KCNH2 (0.37) CXCR3KCNH2TP53
SCHEMBL3735474 0.84 CXCR3 (0.70) CXCR3KCNH2GRM5POLBTP53

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 14 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-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP claimed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO claimed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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 1561/4885GRM5 608/4885

“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.