SCHEMBL112638

SCHEMBL112638

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccc(C(F)(F)F)nc3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.54
KCNH2 Q12809 1/20 0.54
TRPV1 Q8NER1 2/20 0.51
CRACR2A Q9BSW2 2/20 0.44
CCR1 P32246 1/20 0.42
IRAK4 Q9NWZ3 4/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3113104 0.90 CXCR3 (0.55) CXCR3KCNH2TRPV1CCR1POLB
SCHEMBL111164 0.90 CXCR3 (0.59) CXCR3KCNH2IRAK4LMNAGAA
SCHEMBL112162 0.89 CXCR3 (0.54) CXCR3KCNH2CCR1IRAK4POLB
SCHEMBL113639 0.88 CXCR3 (0.57) CXCR3KCNH2TRPV1CCR1POLB
SCHEMBL114797 0.88 CXCR3 (0.57) CXCR3KCNH2LMNAGAATSHR
SCHEMBL111873 0.87 CXCR3 (0.56) CXCR3KCNH2LMNAGAATSHR
SCHEMBL112603 0.87 CXCR3 (0.56) CXCR3KCNH2POLBLMNATSHR
SCHEMBL13075874 0.87 CXCR3 (0.56) CXCR3KCNH2IRAK4LMNAGAA
SCHEMBL109996 0.87 CXCR3 (0.55) CXCR3KCNH2IRAK4LMNAGAA
SCHEMBL111491 0.86 CXCR3 (0.61) CXCR3KCNH2GAATSHR

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 1384/4885TRPV1 332/4885

“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.