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SCHEMBL3739751

SCHEMBL3739751

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 3/20 0.77
▸ KCNH2 Q12809 1/20 0.77
▸ POLB P06746 2/20 0.55
▸ GAA P10253 4/20 0.52
▸ LMNA P02545 3/20 0.50
▸ RECQL P46063 1/20 0.50
▸ MAPT P10636 3/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ DGAT2 Q96PD7 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ CCR1 P32246 1/20 0.43

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
SCHEMBL3731653 0.93 CXCR3 (0.76) CXCR3KCNH2POLBGAALMNA
SCHEMBL3732836 0.91 CXCR3 (0.80) CXCR3KCNH2POLBGAALMNA
SCHEMBL3732867 0.88 CXCR3 (0.88) CXCR3KCNH2POLBGAALMNA
SCHEMBL112559 0.87 CXCR3 (1.00) CXCR3KCNH2POLBGAALMNA
SCHEMBL13077196 0.87 CXCR3 (0.83) CXCR3KCNH2POLBGAALMNA
SCHEMBL3726536 0.86 CXCR3 (0.81) CXCR3KCNH2LMNAMAPTHTT
SCHEMBL3732650 0.85 CXCR3 (0.96) CXCR3KCNH2POLBLMNAMAPT
SCHEMBL3735286 0.85 CXCR3 (0.80) CXCR3KCNH2POLBGAALMNA
SCHEMBL3732918 0.85 CXCR3 (0.73) CXCR3KCNH2POLBGAALMNA
SCHEMBL3731121 0.84 CXCR3 (0.72) CXCR3KCNH2POLBGAALMNA

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 1561/4885POLB 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.