SCHEMBL12469472

SCHEMBL12469472

CC(C)N1CCC(N2CCCN(c3cccc(C(=O)NC4CCOCC4)n3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.55
HTR4 Q13639 3/20 0.42
HRH3 Q9Y5N1 6/20 0.42
CNR2 P34972 2/20 0.41
AVPR1B P47901 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
ACKR3 P25106 1/20 0.38
PARP1 P09874 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL15347805 0.95 HSD11B1 (0.51) HSD11B1HTR4HRH3CNR2AVPR1B
SCHEMBL15347827 0.95 HSD11B1 (0.51) HSD11B1HTR4HRH3CNR2AVPR1B
SCHEMBL15347391 0.94 HSD11B1 (0.60) HSD11B1HTR4HRH3ACKR3PARP1
SCHEMBL30077107 0.94 HSD11B1 (0.60) HSD11B1HTR4HRH3ACKR3PARP1
SCHEMBL12469386 0.87 HTR4 (0.44) HSD11B1HTR4HRH3
SCHEMBL16612750 0.87 HSD11B1 (0.47) HSD11B1HRH3IRAK4
SCHEMBL12469740 0.85 HSD11B1 (0.47) HSD11B1HRH3IRAK4
SCHEMBL15347775 0.84 HSD11B1 (0.47) HSD11B1HRH3IRAK4
SCHEMBL15347508 0.84 HSD11B1 (0.47) HSD11B1HRH3IRAK4
SCHEMBL30077006 0.84 HSD11B1 (0.47) HSD11B1HRH3IRAK4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 EP claimed
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-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
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-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

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 1779/4885HTR4 662/4885HRH3 288/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885HTR4 662/4885HRH3 288/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 HSD11B1 3351/4885HTR4 544/4885HRH3 260/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885HTR4 662/4885HRH3 288/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885HTR4 662/4885HRH3 288/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885HTR4 662/4885HRH3 288/4885

“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.