SCHEMBL12516601

SCHEMBL12516601

CCOC(=O)CC1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
WDR5 P61964 1/20 0.50
ALDH1A1 P00352 2/20 0.49
USP2 O75604 2/20 0.49
HTT P42858 1/20 0.49
POLB P06746 2/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL12516604 0.93 MEN1 (0.61) CXCR3KMT2AMEN1LMNAMAPT
SCHEMBL12516598 0.86 KMT2A (0.56) CXCR3KMT2AMEN1LMNAMAPT
SCHEMBL12516217 0.85 CXCR3 (0.62) CXCR3KMT2AMEN1LMNAMAPT
SCHEMBL2223692 0.82 KMT2A (0.56) CXCR3KMT2AMEN1LMNAMAPT
SCHEMBL12515727 0.82 CXCR3 (0.53) CXCR3KMT2AMEN1LMNAMAPT
SCHEMBL2221531 0.81 KMT2A (0.55) CXCR3KMT2AMEN1LMNAMAPT
SCHEMBL2220991 0.81 LMNA (0.53) CXCR3KMT2AMEN1LMNAMAPT
SCHEMBL12516222 0.80 CXCR3 (0.43) CXCR3KMT2AMEN1LMNAMAPT
SCHEMBL12516588 0.80 CXCR3 (0.52) CXCR3KMT2AMEN1LMNAMAPT
SCHEMBL12516605 0.80 CXCR3 (0.46) CXCR3LMNAMAPTGAATDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KMT2A 3936/4885MEN1 3640/4885

“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.