SCHEMBL113324

SCHEMBL113324

Cc1cn(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccccc3)CC2)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1A P08908 2/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
CXCR3 P49682 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RBP4 P02753 1/20 0.40
POLB P06746 1/20 0.40
GOT1 P17174 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL111889 0.80 CXCR3 (0.67) KMT2AGAAL3MBTL1CXCR3KCNH2
SCHEMBL111768 0.78 CXCR3 (0.54) KMT2AMEN1CXCR3MAPTALDH1A1
SCHEMBL3101424 0.77 YAP1 (0.54) KMT2AMEN1GAAL3MBTL1MAPT
SCHEMBL14665052 0.75 MAPT (0.49) KMT2AMEN1GAAL3MBTL1MAPT
SCHEMBL113596 0.75 ALDH1A1 (0.50) PTPN11KMT2AGAAL3MBTL1MAPT
SCHEMBL110281 0.74 ALDH1A1 (0.44) KMT2AMEN1GAAHTR1AMAPT
SCHEMBL111833 0.74 CXCR3 (0.61) KMT2AGAAL3MBTL1CXCR3KCNH2
SCHEMBL112389 0.74 CXCR3 (0.48) KMT2AMEN1L3MBTL1CXCR3MAPT
SCHEMBL111857 0.73 TRPV1 (0.47) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL13077191 0.73 CXCR3 (0.49) CXCR3KCNH2MAPTALDH1A1SMN1; 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 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 PTPN11 789/4885KMT2A 3794/4885MEN1 3298/4885

“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.