SCHEMBL113360

SCHEMBL113360

COC(=O)c1ccc(-c2ccccc2N2CCN(C(=O)Cn3nc(C)cc3C)CC2)cn1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.71
KCNH2 Q12809 1/20 0.71
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.41
LMNA P02545 3/20 0.40
TP53 P04637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL113043 0.89 CXCR3 (0.71) CXCR3KCNH2ALDH1A1THRBLMNA
SCHEMBL115469 0.89 CXCR3 (0.71) CXCR3KCNH2ALDH1A1THRBLMNA
SCHEMBL13039658 0.88 CXCR3 (0.71) CXCR3KCNH2ALDH1A1THRBLMNA
SCHEMBL3727343 0.87 CXCR3 (0.74) CXCR3KCNH2ALDH1A1THRBLMNA
SCHEMBL3739391 0.86 CXCR3 (0.75) CXCR3KCNH2ALDH1A1THRBLMNA
SCHEMBL13076993 0.86 CXCR3 (0.78) CXCR3KCNH2ALDH1A1THRBLMNA
SCHEMBL3731490 0.86 CXCR3 (0.81) CXCR3KCNH2ALDH1A1LMNATP53
SCHEMBL3736608 0.85 CXCR3 (0.76) CXCR3KCNH2ALDH1A1LMNATP53
SCHEMBL3728662 0.85 CXCR3 (0.72) CXCR3KCNH2ALDH1A1THRBLMNA
SCHEMBL3726497 0.84 CXCR3 (0.81) CXCR3KCNH2ALDH1A1THRBKDM4E

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
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
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

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 1561/4885ALDH1A1 1298/4885

“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.