SCHEMBL6524716

SCHEMBL6524716

Cc1cccc(CN2CCC(CN)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.58
ACHE P22303 2/20 0.56
BACE1 P56817 1/20 0.56
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
PARP1 P09874 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
BCHE P06276 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.50
FAAH O00519 1/20 0.49

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
SCHEMBL15933738 0.88 CXCR4 (0.56) CXCR4ACHEBACE1ALDH1A1KDM4E
SCHEMBL14492265 0.85 CXCR4 (0.62) CXCR4ACHEBACE1ALDH1A1KDM4E
SCHEMBL6943838 0.84 BACE1 (0.58) CXCR4ACHEBACE1ALDH1A1KDM4E
SCHEMBL156415 0.83 ACHE (0.67) CXCR4ACHEBACE1ALDH1A1KDM4E
SCHEMBL12447 0.83 BACE1 (0.59) CXCR4ACHEBACE1ALDH1A1KDM4E
SCHEMBL27895731 0.83 ACHE (0.59) CXCR4ACHEBACE1ALDH1A1KDM4E
SCHEMBL13140415 0.82 CXCR4 (0.70) CXCR4ACHEBACE1DRD2DRD4
SCHEMBL17754013 0.82 CXCR4 (0.56) CXCR4ACHEBACE1ALDH1A1KDM4E
SCHEMBL14492263 0.82 CXCR4 (0.59) CXCR4ACHEBACE1ALDH1A1KDM4E
SCHEMBL5360595 0.82 ALDH1A1 (0.62) CXCR4ACHEALDH1A1KDM4EMAPT

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-9328093-B2 Selective inhibitors of ubiquitin specific protease 7, the pharmaceutical compositions thereof and their therapeutic applications HYBRIGENICS SA (FR) 2016-05-03 US claimed
US-20150072973-A1 NOVEL SELECTIVE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2015-03-12 US claimed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 US claimed
CN-101686952-A Novel agents of calcium ion channel modulators VM DISCOVERY INC 2010-03-31 CN claimed
US-9328093-B2 Selective inhibitors of ubiquitin specific protease 7, the pharmaceutical compositions thereof and their therapeutic applications HYBRIGENICS SA (FR) 2016-05-03 US disclosed
US-20150072973-A1 NOVEL SELECTIVE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2015-03-12 US disclosed
EP-2523938-B1 Amidoacridine derivatives useful as selective inhibitors of ubiquitin specific protease 7 HYBRIGENICS SA (FR) 2014-09-03 EP disclosed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 US disclosed
US-20130023521-A1 NOVEL SELECTIVE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2013-01-24 US disclosed
EP-2523938-A1 AMIDOACRIDINE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 Hybrigenics S.A. (FR) 2012-11-21 EP disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 US disclosed
CN-101686952-A Novel agents of calcium ion channel modulators VM DISCOVERY INC 2010-03-31 CN 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 (3 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-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS CACNA1G, CACNA1C, CACNA1B CXCR4 2737/4885ACHE 1420/4885BACE1 2158/4885
US-20130023521-A1 NOVEL SELECTIVE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS USP7, SENP7, PSMA7 CXCR4 4661/4885ACHE 2065/4885BACE1 177/4885
US-20150072973-A1 NOVEL SELECTIVE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS USP7, SENP7, PSMA7 CXCR4 4661/4885ACHE 2065/4885BACE1 177/4885

“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.