SCHEMBL2270608

SCHEMBL2270608

CN1CCCC(NC(=O)CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.42
GRM5 P41594 3/20 0.40
CCR2 P41597 2/20 0.40
PAX8 Q06710 1/20 0.40
BTK Q06187 2/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MCHR1 Q99705 1/20 0.39
GAA P10253 1/20 0.39
KIF11 P52732 1/20 0.39
LMNA P02545 1/20 0.38
WDR5 P61964 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
SCHEMBL2268315 1.00 CXCR3 (0.57) CXCR3L3MBTL1GRM5CCR2PAX8
SCHEMBL2223197 0.91 CXCR3 (0.48) CXCR3L3MBTL1GRM5CCR2PAX8
SCHEMBL2271430 0.91 CXCR3 (0.48) CXCR3GRM5MEN1KMT2A
SCHEMBL2271014 0.84 CXCR3 (0.55) CXCR3GRM5BTKMEN1KMT2A
SCHEMBL2267846 0.84 CXCR3 (0.54) CXCR3GRM5BTKMEN1KMT2A
SCHEMBL2221730 0.83 CXCR3 (0.51) CXCR3L3MBTL1PAX8MEN1KMT2A
SCHEMBL2266970 0.83 CXCR3 (0.64) CXCR3KCNH2CACNA1IMEN1KMT2A
SCHEMBL2278342 0.83 CXCR3 (0.58) CXCR3MEN1KMT2AWDR5
SCHEMBL12516581 0.83 CXCR3 (0.67) CXCR3L3MBTL1KCNH2CACNA1IMEN1
SCHEMBL2222132 0.83 CXCR3 (0.50) CXCR3L3MBTL1PAX8MEN1KMT2A

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 8 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-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
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 1/4885L3MBTL1 3282/4885GRM5 661/4885

“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.