SCHEMBL3734995

SCHEMBL3734995

O=C(O)c1ccc2ncn(CC(=O)N3CCN(c4ccccc4-c4ccccc4)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.52
KCNH2 Q12809 1/20 0.52
F2 P00734 4/20 0.47
F10 P00742 3/20 0.47
PRSS1 P07477 3/20 0.47
LMNA P02545 1/20 0.47
GRIN2B Q13224 3/20 0.45
GRM5 P41594 1/20 0.45
TBXA2R P21731 1/20 0.44
MC4R P32245 1/20 0.44
FGFR1 P11362 1/20 0.43
DPP4 P27487 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 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
SCHEMBL3731515 0.92 CXCR3 (0.52) CXCR3KCNH2F2F10LMNA
SCHEMBL13039592 0.88 LMNA (0.60) CXCR3KCNH2LMNAGRIN2BGRM5
SCHEMBL3729073 0.79 CXCR3 (0.53) CXCR3KCNH2LMNAGRM5DPP4
SCHEMBL13039617 0.79 CXCR3 (0.72) CXCR3KCNH2PTGS2
SCHEMBL12822201 0.75 FGFR1 (0.67) F2F10PRSS1LMNATBXA2R
SCHEMBL13039613 0.74 CXCR3 (0.59) CXCR3KCNH2LMNAGRM5DPP4
SCHEMBL20672328 0.72 F10 (0.68) F2F10PRSS1GRIN2BFGFR1
SCHEMBL3739598 0.71 CXCR3 (0.58) CXCR3KCNH2GRM5SMN1; SMN2
SCHEMBL3732864 0.70 KMT2A (0.71) CXCR3KCNH2LMNADPP4HTT
SCHEMBL3735517 0.70 ALDH1A1 (0.64) CXCR3KCNH2DPP4

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 11 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
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
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
EP-2164827-A2 NOVEL DERIVATIVES OF 3-PHENYL ACRYLIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2010-03-24 EP disclosed
WO-2008152334-A2 NOVEL DERIVATIVES OF 3-PHENYL ACRYLIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 1561/4885F2 1281/4885

“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.