SCHEMBL2269026

SCHEMBL2269026

CC(C)(C)NC(=O)CC1CCN(c2nc(C(F)(F)F)ccc2NC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.48
CXCR3 P49682 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CACNA1H O95180 2/20 0.44
KCNH2 Q12809 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
ACKR3 P25106 3/20 0.42

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
SCHEMBL12516607 0.89 CXCR3 (0.50) TRPV1CXCR3KDM4EGAA
SCHEMBL2224011 0.86 CXCR3 (0.45) CXCR3KDM4EGAACACNA1HKCNH2
SCHEMBL2270318 0.86 CXCR3 (0.45) CXCR3KDM4EGAACACNA1HKCNH2
SCHEMBL12516605 0.86 CXCR3 (0.46) TRPV1CXCR3KDM4EGAA
SCHEMBL2266970 0.83 CXCR3 (0.64) CXCR3GAACACNA1HKCNH2CACNA1I
SCHEMBL2222302 0.81 MEN1 (0.61) CXCR3GAACACNA1HKCNH2CACNA1I
SCHEMBL2223364 0.81 CXCR3 (0.53) CXCR3GAACACNA1HKCNH2CACNA1I
SCHEMBL2221310 0.79 CXCR3 (0.55) CXCR3CACNA1HKCNH2CACNA1IACKR3
SCHEMBL2264590 0.79 CXCR3 (0.53) CXCR3CACNA1HKCNH2CACNA1I
SCHEMBL2224894 0.76 IDH2 (0.46) CXCR3KDM4EGAAACKR3

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 TRPV1 276/4885CXCR3 1/4885KDM4E 3941/4885

“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.