SCHEMBL110135

SCHEMBL110135

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
RECQL P46063 1/20 0.60
CXCR3 P49682 1/20 0.55
KCNH2 Q12809 1/20 0.55
POLB P06746 1/20 0.51
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 5/20 0.46
P2RX1 P51575 1/20 0.45
PTGS1 P23219 1/20 0.45
TRPV4 Q9HBA0 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL113639 0.91 CXCR3 (0.57) LMNARECQLCXCR3KCNH2POLB
SCHEMBL111889 0.88 CXCR3 (0.67) LMNARECQLCXCR3KCNH2POLB
SCHEMBL111356 0.88 CXCR3 (0.53) LMNARECQLCXCR3KCNH2POLB
SCHEMBL114642 0.87 CXCR3 (0.58) LMNARECQLCXCR3KCNH2GAA
SCHEMBL112162 0.87 CXCR3 (0.54) LMNARECQLCXCR3KCNH2POLB
SCHEMBL3113104 0.86 CXCR3 (0.55) LMNARECQLCXCR3KCNH2POLB
SCHEMBL113827 0.86 CXCR3 (0.53) LMNARECQLCXCR3KCNH2POLB
SCHEMBL111560 0.85 CXCR3 (0.56) LMNACXCR3KCNH2GAAMAPT
SCHEMBL112638 0.85 CXCR3 (0.54) LMNARECQLCXCR3KCNH2POLB
SCHEMBL112584 0.85 CXCR3 (0.55) LMNARECQLCXCR3KCNH2ALDH1A1

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 LMNA 3677/4885RECQL 958/4885CXCR3 1/4885

“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.