SCHEMBL114383

SCHEMBL114383

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccccc3C(F)(F)F)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.57
KCNH2 Q12809 1/20 0.57
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
RBP4 P02753 1/20 0.41
RECQL P46063 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR1 P32246 2/20 0.41
MAPK1 P28482 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
SCHEMBL111944 0.88 CXCR3 (0.60) CXCR3KCNH2TSHRHSD17B10LMNA
SCHEMBL112434 0.87 CXCR3 (0.61) CXCR3KCNH2TSHRHSD17B10GAA
SCHEMBL112650 0.86 CXCR3 (0.60) CXCR3KCNH2TSHRHSD17B10GAA
SCHEMBL113639 0.86 CXCR3 (0.57) CXCR3KCNH2TSHRGAAPOLB
SCHEMBL113827 0.86 CXCR3 (0.53) CXCR3KCNH2TSHRHSD17B10GAA
SCHEMBL112032 0.85 CXCR3 (0.58) CXCR3KCNH2GAAPOLBLMNA
SCHEMBL3113104 0.84 CXCR3 (0.55) CXCR3KCNH2TSHRGAAPOLB
SCHEMBL110135 0.84 LMNA (0.60) CXCR3KCNH2HSD17B10GAAPOLB
SCHEMBL111889 0.84 CXCR3 (0.67) CXCR3KCNH2TSHRHSD17B10GAA
SCHEMBL112162 0.83 CXCR3 (0.54) CXCR3KCNH2GAAPOLBLMNA

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-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 1384/4885TSHR 543/4885

“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.