SCHEMBL163879

SCHEMBL163879

O=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(c2ccc(F)cc2-c2cnc(N3CCCC3)nc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.62
KCNH2 Q12809 1/20 0.62
GRIN2B Q13224 11/20 0.50
GRIN1 Q05586 10/20 0.50
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 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
SCHEMBL166876 0.94 CXCR3 (0.59) CXCR3KCNH2GRIN2BGRIN1MAPT
SCHEMBL3732635 0.94 CXCR3 (0.59) CXCR3KCNH2GRIN2BGRIN1MAPT
SCHEMBL167757 0.93 CXCR3 (0.73) CXCR3KCNH2GRIN2BGRIN1MAPT
SCHEMBL164210 0.89 CXCR3 (0.60) CXCR3KCNH2GRIN2BGRIN1MAPT
SCHEMBL168189 0.89 CXCR3 (0.54) CXCR3KCNH2GRIN2BGRIN1MAPT
SCHEMBL3726632 0.88 CXCR3 (0.52) CXCR3KCNH2GRIN2BGRIN1MAPT
SCHEMBL168188 0.87 CXCR3 (0.51) CXCR3KCNH2GRIN2BGRIN1MAPT
SCHEMBL3726229 0.84 CXCR3 (0.60) CXCR3KCNH2GRIN2BGRIN1MAPT
SCHEMBL113350 0.79 CXCR3 (0.51) CXCR3KCNH2GRIN2BGRIN1
SCHEMBL113349 0.79 CXCR3 (0.50) CXCR3KCNH2GRIN2BGRIN1

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 1561/4885GRIN2B 544/4885

“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.