SCHEMBL111123

SCHEMBL111123

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3cc(C4CCCCC4)no3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.51
KCNH2 Q12809 1/20 0.51
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.38
RPS6KA2 Q15349 1/20 0.38
IDO1 P14902 1/20 0.37
NAMPT P43490 1/20 0.37
RAB9A P51151 2/20 0.36
CNR2 P34972 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPT P10636 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
SCHEMBL112111 0.85 CXCR3 (0.61) CXCR3KCNH2LMNAALDH1A1RAB9A
SCHEMBL111832 0.84 CXCR3 (0.54) CXCR3KCNH2LMNAGAAPOLB
SCHEMBL112924 0.84 CXCR3 (0.51) CXCR3KCNH2LMNAGAAPOLB
SCHEMBL111978 0.83 CXCR3 (0.54) CXCR3KCNH2LMNAGAAPOLB
SCHEMBL109518 0.83 CXCR3 (0.54) CXCR3KCNH2LMNAGAAPOLB
SCHEMBL113542 0.82 CXCR3 (0.60) CXCR3KCNH2LMNAGAAPOLB
SCHEMBL111889 0.80 CXCR3 (0.67) CXCR3KCNH2LMNAGAAPOLB
SCHEMBL115589 0.78 CXCR3 (0.62) CXCR3KCNH2LMNAGAAPOLB
SCHEMBL111833 0.77 CXCR3 (0.61) CXCR3KCNH2LMNAGAAALDH1A1
SCHEMBL111831 0.77 CXCR3 (0.61) CXCR3KCNH2LMNAGAAPOLB

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
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 1384/4885LMNA 3677/4885

“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.