SCHEMBL164266

SCHEMBL164266

CC1CN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCC(S(C)(=O)=O)CC3)nc2)CCN1C(=O)CN1Cc2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 10/20 0.38
CHRM2 P08172 5/20 0.37
CHRM1 P11229 5/20 0.37
CHRM3 P20309 4/20 0.37
KCNH2 Q12809 1/20 0.37
PREP P48147 2/20 0.37
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CHRM4 P08173 2/20 0.36
DGAT1 O75907 1/20 0.35

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
SCHEMBL164089 0.92 PREP (0.39) CXCR3PREPDPP4FAPDPP8
SCHEMBL163682 0.92 CXCR3 (0.40) CXCR3CHRM2CHRM1CHRM3KCNH2
SCHEMBL3726731 0.91 CXCR3 (0.40) CXCR3CHRM2CHRM1CHRM3KCNH2
SCHEMBL113184 0.86 CXCR3 (0.40) CXCR3CHRM2CHRM1CHRM3CHRM4
SCHEMBL3728323 0.84 CXCR3 (0.48) CXCR3CHRM2CHRM1CHRM3KCNH2
SCHEMBL165135 0.82 CXCR3 (0.55) CXCR3KCNH2
SCHEMBL163786 0.82 PREP (0.40) CXCR3KCNH2PREPDPP4FAP
SCHEMBL165356 0.82 PREP (0.44) CXCR3KCNH2PREPDPP4FAP
SCHEMBL164930 0.81 CXCR3 (0.39) CXCR3KCNH2PREPDPP4FAP
SCHEMBL116694 0.81 CXCR3 (0.55) CXCR3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP claimed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO claimed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US claimed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885CHRM2 268/4885CHRM1 244/4885

“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.