SCHEMBL115167

SCHEMBL115167

CC1CN(c2ccc(F)cc2-c2cnc(N3CCC(S(C)(=O)=O)CC3)nc2)CCN1C(=O)CN1CCCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
TNF P01375 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
WDR5 P61964 10/20 0.36

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
SCHEMBL113184 0.92 CXCR3 (0.40) CXCR3CHRM2CHRM1WDR5
SCHEMBL111968 0.91 CXCR3 (0.37) CXCR3TNF
SCHEMBL114112 0.89 ADRA1D (0.38) CXCR3ADRA1DADRA1AADRA1BTNF
SCHEMBL115763 0.89 ADRA1B (0.41) CXCR3ADRA1DADRA1AADRA1BCHRM2
SCHEMBL164089 0.86 PREP (0.39) CXCR3TNFWDR5
SCHEMBL165291 0.84 HCRTR1 (0.38) CXCR3TNFWDR5
SCHEMBL166781 0.84 CXCR3 (0.52) CXCR3
SCHEMBL115917 0.82 CXCR3 (0.41) CXCR3CHRM2CHRM1WDR5
SCHEMBL113350 0.82 CXCR3 (0.51) CXCR3TNFCHRM2CHRM1WDR5
SCHEMBL15925562 0.82 CXCR3 (0.44) CXCR3

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
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
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
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
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

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 1/4885ADRA1D 160/4885ADRA1A 182/4885

“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.