SCHEMBL12685359

SCHEMBL12685359

CS(=O)(=O)OCCCN1CCc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
HTR5A P47898 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
HTR7 P34969 6/20 0.55
HTR1A P08908 3/20 0.55
DRD3 P35462 3/20 0.55
DRD2 P14416 2/20 0.55
HTR2A P28223 2/20 0.55
HRH1 P35367 2/20 0.55
HTR2B P41595 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAOB P27338 1/20 0.52
SLC6A4 P31645 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL1927006 0.85 HTR7 (0.63) TDP1HTR5AHRH3HTR7HTR1A
SCHEMBL6521520 0.83 MEN1 (0.58) TDP1HTR5AHRH3HTR7HTR1A
SCHEMBL18795847 0.81 HTR7 (0.57) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL19957707 0.81 TDP1 (0.70) TDP1HTR5AHRH3HTR7HTR1A
SCHEMBL141699 0.78 MAOB (0.61) TDP1HTR5AHRH3HTR7HTR1A
SCHEMBL28058027 0.77 HTR5A (0.59) TDP1HTR5AHRH3HTR7HTR1A
SCHEMBL22640170 0.77 HTR7 (0.73) HTR7HTR1ADRD3DRD2
SCHEMBL7246965 0.77 HTR5A (0.79) TDP1HTR5AHRH3HTR7HTR1A
SCHEMBL1925581 0.76 HTR7 (0.61) HRH3HTR7HTR1ADRD3DRD2
SCHEMBL15830569 0.76 PRMT5 (0.52) MEN1KMT2A

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 19 patents. 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-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
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
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 TDP1 4573/4885HTR5A 605/4885HRH3 288/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 TDP1 4573/4885HTR5A 605/4885HRH3 288/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 TDP1 4711/4885HTR5A 601/4885HRH3 260/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 TDP1 4573/4885HTR5A 605/4885HRH3 288/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 TDP1 4573/4885HTR5A 605/4885HRH3 288/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 TDP1 4573/4885HTR5A 605/4885HRH3 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.