SCHEMBL12685243

SCHEMBL12685243

CCC(CC)N1CCC(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
HRH3 Q9Y5N1 15/20 0.36
PIK3CD O00329 1/20 0.33

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
SCHEMBL21944586 0.84 HRH3 (0.33) LMNACA12CA1CA2CA3
SCHEMBL4325397 0.84 HRH3 (0.33) LMNACA12CA1CA2CA3
SCHEMBL12469211 0.79 GRIA1 (0.39) KDM4EALDH1A1LMNAHRH3PIK3CD
SCHEMBL12685137 0.79 GRIA1 (0.39) KDM4EALDH1A1LMNAHRH3PIK3CD
SCHEMBL4745100 0.79 GRIA1 (0.39) KDM4EALDH1A1LMNAHRH3PIK3CD
SCHEMBL31629057 0.79 KDM4E (0.33) KDM4EALDH1A1TP53LMNACA12
SCHEMBL27811276 0.77 LMNA (0.34) LMNACA12CA1CA2CA3
Hydrochloric Acid SCHEMBL3734569 0.77 GRIA1 (0.38) KDM4EALDH1A1LMNACA12CA1
Bromide SCHEMBL3737234 0.77 GRIA1 (0.38) KDM4EALDH1A1LMNACA12CA1
SCHEMBL12469251 0.76

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348577-A1 CXCR4 Receptor Antagonists PROXIMAGEN LLC (US) 2022-11-03 US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 US disclosed
US-10155761-B2 CXCR4 receptor antagonists PROXIMAGEN, LLC (US) 2018-12-18 US disclosed
EP-2927224-B1 Receptor antagonists PROXIMAGEN LTD (GB) 2018-10-03 EP disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 US disclosed
EP-2927224-A1 Receptor antagonists Proximagen Limited (GB) 2015-10-07 EP disclosed
EP-2927224-A1 Receptor antagonists Proximagen Limited (GB) 2015-10-07 EP disclosed
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 EP disclosed
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 EP disclosed
US-20130289020-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2013-10-31 US disclosed
US-20130289020-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2013-10-31 US disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 WO disclosed
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-21 US disclosed
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors SCRIPPS RESEARCH INSTITUTE, THE 2008-02-21 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 (8 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-20170226106-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 KDM4E 3525/4885ALDH1A1 886/4885TP53 3543/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 KDM4E 3525/4885ALDH1A1 886/4885TP53 3543/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 KDM4E 4581/4885ALDH1A1 1948/4885TP53 2667/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 KDM4E 3525/4885ALDH1A1 886/4885TP53 3543/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 KDM4E 3525/4885ALDH1A1 886/4885TP53 3543/4885
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, PRKCH KDM4E 1481/4885ALDH1A1 1494/4885TP53 1300/4885
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, HIPK1 KDM4E 1533/4885ALDH1A1 3011/4885TP53 457/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 KDM4E 3525/4885ALDH1A1 886/4885TP53 3543/4885

“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.