SCHEMBL2268259

SCHEMBL2268259

CC(C1CCN(c2ncc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.56
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
SLC6A2 P23975 1/20 0.45
CHRNB4 P30926 1/20 0.45
SLC6A4 P31645 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CHRND Q07001 1/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 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
SCHEMBL2267130 0.88 CXCR3 (0.60) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL12516218 0.87 CXCR3 (0.59) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL2265284 0.83 CXCR3 (0.59) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL2272624 0.82 CXCR3 (0.60) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL2273229 0.82 CXCR3 (0.67) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL2276808 0.81 CXCR3 (0.63) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL2272082 0.81 CXCR3 (0.60) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL2267308 0.80 CXCR3 (0.70) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL2268986 0.80 CXCR3 (0.62) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL2268257 0.80 CXCR3 (0.70) CXCR3MEN1KMT2ANPC1RAB9A

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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
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 1/4885MEN1 3640/4885KMT2A 3936/4885

“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.