SCHEMBL3729013

SCHEMBL3729013

COc1ccc(-c2ccccc2N2CCN(C(=O)Cn3nc(C)cc3C)CC2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.75
KCNH2 Q12809 1/20 0.75
THRB P10828 1/20 0.58
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMPD3 Q9NY59 2/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 2/20 0.46
CCR1 P32246 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL15925519 0.91 CXCR3 (0.61) CXCR3KCNH2THRBALOX15SMN1; SMN2
SCHEMBL3726497 0.89 CXCR3 (0.81) CXCR3KCNH2THRBALOX15SMN1; SMN2
SCHEMBL3732576 0.87 CXCR3 (0.78) CXCR3KCNH2SMN1; SMN2MAPTLMNA
SCHEMBL3730735 0.86 CXCR3 (0.88) CXCR3KCNH2ALOX15SMN1; SMN2HSD17B10
SCHEMBL3735739 0.86 CXCR3 (0.88) CXCR3KCNH2THRBMAPTKDM4E
SCHEMBL3732650 0.86 CXCR3 (0.96) CXCR3KCNH2THRBMAPTKDM4E
SCHEMBL112559 0.86 CXCR3 (1.00) CXCR3KCNH2MAPTLMNATP53
SCHEMBL3727343 0.86 CXCR3 (0.74) CXCR3KCNH2THRBALOX15SMN1; SMN2
SCHEMBL3741574 0.85 CXCR3 (0.79) CXCR3KCNH2THRBALOX15SMN1; SMN2
SCHEMBL3739391 0.85 CXCR3 (0.75) CXCR3KCNH2THRBALOX15SMN1; SMN2

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 9 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
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 1561/4885THRB 1510/4885

“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.