SCHEMBL113184

SCHEMBL113184

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.40
CHRM2 P08172 5/20 0.37
CHRM1 P11229 5/20 0.37
DGAT1 O75907 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
WDR5 P61964 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CHRM3 P20309 3/20 0.36
CHRM4 P08173 2/20 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
SCHEMBL115167 0.92 CXCR3 (0.37) CXCR3CHRM2CHRM1WDR5
SCHEMBL115917 0.92 CXCR3 (0.41) CXCR3CHRM2CHRM1ALDH1A1WDR5
SCHEMBL112304 0.90 CXCR3 (0.39) CXCR3CHRM2CHRM1ALDH1A1LMNA
SCHEMBL111968 0.89 CXCR3 (0.37) CXCR3ALDH1A1
SCHEMBL164266 0.86 CXCR3 (0.38) CXCR3CHRM2CHRM1DGAT1CHRM3
SCHEMBL165135 0.85 CXCR3 (0.55) CXCR3
SCHEMBL3728323 0.83 CXCR3 (0.48) CXCR3CHRM2CHRM1DGAT1CHRM3
SCHEMBL167793 0.82 CXCR3 (0.45) CXCR3DGAT1CHRM4
SCHEMBL116694 0.82 CXCR3 (0.55) CXCR3
SCHEMBL114112 0.81 ADRA1D (0.38) CXCR3CHRM4

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
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 1/4885CHRM2 268/4885CHRM1 244/4885

“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.