SCHEMBL16705602

SCHEMBL16705602

O=C(O)c1cccc(CN2CCCN3CCNCCCN(CC3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 10/20 0.56
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
GNE Q9Y223 1/20 0.39
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2C P18825 1/20 0.37
CCR2 P41597 1/20 0.37
CXCL12 P48061 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FAAH O00519 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL31679420 1.00 CXCR4 (0.56) CXCR4KDM5CKDM4CGNEPARP1
SCHEMBL16705603 1.00 CXCR4 (0.56) CXCR4KDM5CKDM4CGNEPARP1
SCHEMBL30319456 0.91 GNE (0.46) CXCR4GNETDP1FAAHHIF1A
SCHEMBL16705655 0.91 GNE (0.46) CXCR4GNETDP1FAAHHIF1A
SCHEMBL16705657 0.91 GNE (0.46) CXCR4GNETDP1FAAHHIF1A
SCHEMBL19524221 0.89 CXCR4 (0.54) CXCR4KDM5CKDM4CPARP1MEN1
SCHEMBL19524219 0.89 CXCR4 (0.54) CXCR4KDM5CKDM4CPARP1MEN1
SCHEMBL16705678 0.88 CXCR4 (0.73) CXCR4KDM5CKDM4CGNEMEN1
SCHEMBL18121367 0.87 CXCR4 (0.52) CXCR4PARP1MEN1KMT2AFAAH
SCHEMBL19013529 0.87 CXCR4 (0.57) CXCR4KDM5CKDM4CGNEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10434199-B2 Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2019-10-08 US claimed
EP-3068787-B1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2017-11-01 EP claimed
US-20160287733-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-10-06 US claimed
US-10434199-B2 Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2019-10-08 US disclosed
US-10434199-B2 Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2019-10-08 US disclosed
EP-3068787-B1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2017-11-01 EP disclosed
EP-3068787-B1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2017-11-01 EP disclosed
US-20160287733-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-10-06 US disclosed
US-20160287733-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-10-06 US disclosed
US-20160287733-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-10-06 US disclosed
EP-2871186-B1 Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2016-09-21 EP disclosed
WO-2015071334-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2015-05-21 WO disclosed
EP-2871186-A1 Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof Université de Bretagne Occidentale (FR) 2015-05-13 EP 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 (2 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-10434199-B2 Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof SLC39A14, SLC67A1, SLC39A3 CXCR4 1254/4885KDM5C 4592/4885KDM4C 4235/4885
US-20160287733-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF SLC39A14, SLC67A1, SLC39A3 CXCR4 1254/4885KDM5C 4592/4885KDM4C 4235/4885

“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.