SCHEMBL16705677

SCHEMBL16705677

O=C(O)c1cccc(CN2CCNCCNCCNCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 7/20 0.61
KDM5C P41229 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GNE Q9Y223 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
FAAH O00519 1/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RY2 P41231 1/20 0.39

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
SCHEMBL23780012 1.00 CXCR4 (0.61) CXCR4KDM5CKDM4CSIGMAR1KDM4E
SCHEMBL17708319 0.99 CXCR4 (0.58) CXCR4KDM5CKDM4CSIGMAR1KDM4E
SCHEMBL19013529 0.97 CXCR4 (0.57) CXCR4KDM5CKDM4CSIGMAR1KDM4E
SCHEMBL16705678 0.94 CXCR4 (0.73) CXCR4KDM5CKDM4CSIGMAR1TDP1
SCHEMBL24026607 0.91 CXCR4 (0.52) CXCR4KDM5CKDM4CSIGMAR1KDM4E
SCHEMBL17805277 0.91 CXCR4 (0.51) CXCR4KDM5CKDM4CSIGMAR1KDM4E
SCHEMBL21043982 0.91 CXCR4 (0.51) CXCR4KDM5CKDM4CSIGMAR1KDM4E
SCHEMBL30218436 0.91 CXCR4 (0.51) CXCR4KDM5CKDM4CSIGMAR1KDM4E
SCHEMBL22424947 0.88 KDM4E (0.53) CXCR4KDM4EALOX15TSHRACMSD
SCHEMBL2821305 0.88 KDM4E (0.53) CXCR4KDM4EALOX15TSHRACMSD

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 7 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 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 1254/4885KDM5C 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.