SCHEMBL12469740

SCHEMBL12469740

CC(C)N1CCC(N2CCCN(c3cccc(C(=O)NN)n3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.47
HRH3 Q9Y5N1 8/20 0.46
OGA O60502 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
PRKCQ Q04759 1/20 0.39
KIF18A Q8NI77 3/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL15347613 0.90 HSD11B1 (0.46) HSD11B1HRH3OGAIRAK4KIF18A
SCHEMBL30077059 0.90 HSD11B1 (0.46) HSD11B1HRH3OGAIRAK4KIF18A
SCHEMBL30076906 0.89 HSD11B1 (0.45) HSD11B1HRH3OGAIRAK4KIF18A
SCHEMBL15347775 0.89 HSD11B1 (0.47) HSD11B1HRH3OGAIRAK4KIF18A
SCHEMBL15347770 0.89 HSD11B1 (0.45) HSD11B1HRH3OGAIRAK4KIF18A
SCHEMBL15347391 0.89 HSD11B1 (0.60) HSD11B1HRH3OGA
SCHEMBL30077107 0.89 HSD11B1 (0.60) HSD11B1HRH3OGA
SCHEMBL15347508 0.89 HSD11B1 (0.47) HSD11B1HRH3OGAIRAK4KIF18A
SCHEMBL30076983 0.89 HSD11B1 (0.44) HSD11B1HRH3KIF18AP2RX7
SCHEMBL30077006 0.89 HSD11B1 (0.47) HSD11B1HRH3OGAIRAK4KIF18A

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 22 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
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
EP-2627649-A1 CXCR4 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-21 EP disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 WO disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 WO 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 (6 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 HSD11B1 1779/4885HRH3 288/4885OGA 4677/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885HRH3 288/4885OGA 4677/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 HSD11B1 3351/4885HRH3 260/4885OGA 3751/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885HRH3 288/4885OGA 4677/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885HRH3 288/4885OGA 4677/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885HRH3 288/4885OGA 4677/4885

“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.