SCHEMBL112038

SCHEMBL112038

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3cnn(Cc4ccccc4)c3)CC2)n1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.73
KCNH2 Q12809 1/20 0.73
ALDH1A1 P00352 2/20 0.47
CREBBP Q92793 6/20 0.43
SCD O00767 2/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.40
SCD5 Q86SK9 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL3735639 0.87 CXCR3 (0.78) CXCR3KCNH2ALDH1A1TP53KMT2A
SCHEMBL112559 0.85 CXCR3 (1.00) CXCR3KCNH2ALDH1A1TP53GAA
SCHEMBL3740353 0.83 CXCR3 (0.85) CXCR3KCNH2ALDH1A1TP53KMT2A
SCHEMBL3735739 0.83 CXCR3 (0.88) CXCR3KCNH2ALDH1A1TP53GAA
SCHEMBL3732650 0.83 CXCR3 (0.96) CXCR3KCNH2ALDH1A1TP53KMT2A
SCHEMBL3726827 0.82 CXCR3 (0.81) CXCR3KCNH2ALDH1A1TP53KMT2A
SCHEMBL3740276 0.81 CXCR3 (0.84) CXCR3KCNH2ALDH1A1TP53GAA
SCHEMBL3731490 0.81 CXCR3 (0.81) CXCR3KCNH2ALDH1A1TP53GAA
SCHEMBL3726591 0.81 CXCR3 (0.84) CXCR3KCNH2ALDH1A1TP53GAA
SCHEMBL3732867 0.81 CXCR3 (0.88) CXCR3KCNH2ALDH1A1TP53GAA

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 12 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
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 1561/4885ALDH1A1 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.