SCHEMBL12469408

SCHEMBL12469408

O=C(O)c1cccc(N2CCCN(C3CCN(Cc4ccccc4Cl)CC3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CHRM1 P11229 2/20 0.43
DRD2 P14416 1/20 0.43
CHRM4 P08173 1/20 0.43
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
CXCR4 P61073 3/20 0.41
OPRM1 P35372 2/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM3 P20309 1/20 0.41
CXCR3 P49682 2/20 0.41

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
SCHEMBL15347106 0.93 CHRM1 (0.43) POLBCHRM1DRD2CHRM4DRD4
SCHEMBL30076976 0.93 CHRM1 (0.43) POLBCHRM1DRD2CHRM4DRD4
SCHEMBL15347713 0.89 HRH3 (0.53) POLBCHRM1DRD2DRD4ALDH1A1
SCHEMBL30076959 0.89 HRH3 (0.53) POLBCHRM1DRD2DRD4ALDH1A1
SCHEMBL15347745 0.88 DRD4 (0.42) POLBCHRM1DRD2DRD4CXCR4
SCHEMBL30077005 0.88 DRD4 (0.42) POLBCHRM1DRD2DRD4CXCR4
SCHEMBL30077029 0.87 CXCR4 (0.46) POLBDRD4CXCR4
SCHEMBL15347226 0.87 CXCR4 (0.46) POLBDRD4CXCR4
SCHEMBL30077082 0.87 HRH3 (0.43) POLBCHRM1DRD2CHRM4DRD4
SCHEMBL30077074 0.86 KDM4E (0.46) POLBCHRM1DRD2DRD4KDM4E

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-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
CN-103282360-A Cxcr4 receptor antagonists PROXIMAGEN LTD 2013-09-04 CN 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 POLB 4392/4885CHRM1 336/4885DRD2 735/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 POLB 4392/4885CHRM1 336/4885DRD2 735/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 POLB 4285/4885CHRM1 1577/4885DRD2 837/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 POLB 4392/4885CHRM1 336/4885DRD2 735/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 POLB 4392/4885CHRM1 336/4885DRD2 735/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 POLB 4392/4885CHRM1 336/4885DRD2 735/4885

“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.