SCHEMBL114424

SCHEMBL114424

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3ccc(NS(C)(=O)=O)cc3)CC2)n1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.75
KCNH2 Q12809 1/20 0.75
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
MGLL Q99685 1/20 0.39
DPP4 P27487 1/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.38
TP53 P04637 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
SCHEMBL15925501 0.90 CXCR3 (0.83) CXCR3KCNH2ALDH1A1KMT2ALMNA
SCHEMBL3724566 0.88 CXCR3 (0.80) CXCR3KCNH2ALDH1A1KMT2ALMNA
SCHEMBL3732781 0.87 CXCR3 (0.78) CXCR3KCNH2ALDH1A1KMT2ALMNA
SCHEMBL3730735 0.86 CXCR3 (0.88) CXCR3KCNH2ALDH1A1KMT2ALMNA
SCHEMBL3732650 0.86 CXCR3 (0.96) CXCR3KCNH2ALDH1A1KMT2ALMNA
SCHEMBL3735739 0.86 CXCR3 (0.88) CXCR3KCNH2ALDH1A1KMT2ALMNA
SCHEMBL112559 0.86 CXCR3 (1.00) CXCR3KCNH2ALDH1A1KMT2ALMNA
SCHEMBL112911 0.85 CXCR3 (0.78) CXCR3KCNH2ALDH1A1KMT2ALMNA
SCHEMBL3726591 0.85 CXCR3 (0.84) CXCR3KCNH2ALDH1A1KMT2ALMNA
SCHEMBL3740276 0.85 CXCR3 (0.84) CXCR3KCNH2ALDH1A1KMT2ALMNA

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 10 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
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP 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

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 1561/4885ALDH1A1 1298/4885

“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.