SCHEMBL112593

SCHEMBL112593

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3ccc(S(=O)(=O)N(C)C)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
LMNA P02545 3/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GPR55 Q9Y2T6 4/20 0.43
CNR1 P21554 2/20 0.42
MEN1 O00255 1/20 0.42
CNR2 P34972 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRB2 P07550 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS2 P35354 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
SCHEMBL3727961 0.91 CXCR3 (0.73) CXCR3KCNH2LMNATHRBKMT2A
SCHEMBL3724566 0.90 CXCR3 (0.80) CXCR3KCNH2LMNAKMT2AALDH1A1
SCHEMBL112911 0.89 CXCR3 (0.78) CXCR3KCNH2LMNAKMT2AALDH1A1
SCHEMBL3732650 0.86 CXCR3 (0.96) CXCR3KCNH2LMNATHRBKMT2A
SCHEMBL3735739 0.86 CXCR3 (0.88) CXCR3KCNH2LMNATHRBKMT2A
SCHEMBL3730735 0.86 CXCR3 (0.88) CXCR3KCNH2LMNAKMT2ASMN1; SMN2
SCHEMBL112559 0.86 CXCR3 (1.00) CXCR3KCNH2LMNAKMT2AALDH1A1
SCHEMBL3735631 0.85 CXCR3 (0.78) CXCR3KCNH2LMNATHRBKMT2A
SCHEMBL3739895 0.85 CXCR3 (0.78) CXCR3KCNH2LMNATHRBKMT2A
SCHEMBL3742966 0.85 CXCR3 (0.84) CXCR3KCNH2LMNATHRBKMT2A

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
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
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 1561/4885LMNA 4200/4885

“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.