SCHEMBL3732576

SCHEMBL3732576

COc1cccc(-c2ccccc2N2CCN(C(=O)Cn3nc(C)cc3C)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.78
KCNH2 Q12809 1/20 0.78
CCR1 P32246 1/20 0.47
HTR7 P34969 2/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
TACR1 P25103 1/20 0.44
GAA P10253 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 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
SCHEMBL3731402 0.91 CXCR3 (0.75) CXCR3KCNH2MAPTTP53POLB
SCHEMBL3726497 0.90 CXCR3 (0.81) CXCR3KCNH2CCR1HTR7MAPT
SCHEMBL3732867 0.88 CXCR3 (0.88) CXCR3KCNH2MAPTTP53POLB
SCHEMBL112559 0.88 CXCR3 (1.00) CXCR3KCNH2MAPTTP53POLB
SCHEMBL13077196 0.87 CXCR3 (0.83) CXCR3KCNH2MAPTTP53POLB
SCHEMBL3729013 0.87 CXCR3 (0.75) CXCR3KCNH2CCR1MAPTTP53
SCHEMBL3726536 0.87 CXCR3 (0.81) CXCR3KCNH2CCR1HTR7MAPT
SCHEMBL3732650 0.86 CXCR3 (0.96) CXCR3KCNH2MAPTTP53POLB
SCHEMBL3735286 0.86 CXCR3 (0.80) CXCR3KCNH2MAPTTP53POLB
SCHEMBL3741574 0.85 CXCR3 (0.79) CXCR3KCNH2MAPTTP53POLB

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-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US claimed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
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
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 1/4885KCNH2 1561/4885CCR1 11/4885

“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.