SCHEMBL16705678

SCHEMBL16705678

O=C(O)c1cccc(CN2CCCNCCNCCCNCC2)n1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 15/20 0.73
MEN1 O00255 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2C P18825 1/20 0.50
CCR2 P41597 1/20 0.50
CXCL12 P48061 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
GNE Q9Y223 1/20 0.42
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL16705677 0.94 CXCR4 (0.61) CXCR4MEN1KMT2ATDP1KDM5C
SCHEMBL23780012 0.94 CXCR4 (0.61) CXCR4MEN1KMT2ATDP1KDM5C
SCHEMBL17708319 0.92 CXCR4 (0.58) CXCR4MEN1KMT2ATDP1KDM5C
SCHEMBL19013529 0.91 CXCR4 (0.57) CXCR4MEN1KMT2ATDP1KDM5C
SCHEMBL16705602 0.88 CXCR4 (0.56) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL31679420 0.88 CXCR4 (0.56) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL16705603 0.88 CXCR4 (0.56) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL24026607 0.85 CXCR4 (0.52) CXCR4MEN1KMT2ATDP1KDM5C
SCHEMBL15159868 0.85 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL465886 0.85 GNE (0.55) CXCR4TDP1GNE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273142-A1 PICOLINATE CYCLAM PALLADIUM CHELATES AND USES THEREOF Université de Bretagne Occidentale (FR) 2023-11-08 EP claimed
EP-4273142-A1 PICOLINATE CYCLAM PALLADIUM CHELATES AND USES THEREOF Université de Bretagne Occidentale (FR) 2023-11-08 EP disclosed
EP-4273142-A1 PICOLINATE CYCLAM PALLADIUM CHELATES AND USES THEREOF Université de Bretagne Occidentale (FR) 2023-11-08 EP 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
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 1254/4885MEN1 1087/4885CHRM2 113/4885
US-20160287733-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF SLC39A14, SLC67A1, SLC39A3 CXCR4 1254/4885MEN1 1087/4885CHRM2 113/4885

“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.