SCHEMBL2264590

SCHEMBL2264590

CC(C)(C)NC(=O)CC1CCN(c2ncc(C#N)cc2NC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.53
GPR6 P46095 16/20 0.47
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
CACNA1H O95180 1/20 0.43
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 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
SCHEMBL2266970 0.90 CXCR3 (0.64) CXCR3MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL14659129 0.88 CXCR3 (0.55) CXCR3GPR6MEN1CYP1A2CYP3A4
SCHEMBL2223364 0.86 CXCR3 (0.53) CXCR3MEN1KMT2ACACNA1HKCNH2
SCHEMBL14659866 0.86 CXCR3 (0.51) CXCR3GPR6MEN1CYP1A2CYP3A4
SCHEMBL2221310 0.86 CXCR3 (0.55) CXCR3CACNA1HKCNH2CACNA1I
SCHEMBL2269616 0.85 CXCR3 (0.65) CXCR3GPR6MEN1KMT2A
SCHEMBL2271430 0.85 CXCR3 (0.48) CXCR3GPR6MEN1CYP1A2CYP3A4
SCHEMBL2270318 0.85 CXCR3 (0.45) CXCR3GPR6MEN1CYP1A2CYP3A4
SCHEMBL2271128 0.84 CXCR3 (0.51) CXCR3GPR6MEN1CYP1A2CYP3A4
SCHEMBL2269437 0.82 CXCR3 (0.48) CXCR3GPR6

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 1/4885GPR6 137/4885MEN1 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.