SCHEMBL3726532

SCHEMBL3726532

Cc1cc(C)n(CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3-c3cnc(S(C)(=O)=O)nc3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.54
KCNH2 Q12809 2/20 0.54
POLB P06746 1/20 0.45
GAA P10253 1/20 0.43
CA2 P00918 1/20 0.41
CCR1 P32246 3/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 1/20 0.39
NCOA1 Q15788 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MC4R P32245 1/20 0.38
SLC6A9 P48067 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
SCHEMBL178025 0.90 CXCR3 (0.58) CXCR3KCNH2POLBCCR1GRIN2B
SCHEMBL3741729 0.88 CXCR3 (0.56) CXCR3KCNH2POLBGAACA2
SCHEMBL3729084 0.87 CXCR3 (0.55) CXCR3KCNH2
SCHEMBL3731238 0.87 CXCR3 (0.55) CXCR3KCNH2POLBGAACA2
SCHEMBL3730330 0.87 CXCR3 (0.55) CXCR3KCNH2POLBGAACCR1
SCHEMBL3728657 0.87 CXCR3 (0.53) CXCR3KCNH2POLBGAACCR1
SCHEMBL3733665 0.86 CXCR3 (0.74) CXCR3KCNH2POLBGAALMNA
SCHEMBL13039578 0.79 CXCR3 (0.55) CXCR3KCNH2POLBGAACCR1
SCHEMBL168793 0.79 CXCR3 (0.60) CXCR3KCNH2POLBGRIN1GRIN2B
SCHEMBL3732836 0.79 CXCR3 (0.80) CXCR3KCNH2POLBGAACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1561/4885POLB 2678/4885

“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.