SCHEMBL16705687

SCHEMBL16705687

COC(=O)c1cccc(CN2CCCN3CCN(CCc4ccc(N)cc4)CCCN(CC3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
PARP1 P09874 1/20 0.40
CHKA P35790 1/20 0.39
ABCC1 P33527 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR4 Q13639 1/20 0.36
ADORA2A P29274 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
SCHEMBL16705683 0.88 SIGMAR1 (0.44) NOS1NOS3SIGMAR1HTR2AKCNH2
SCHEMBL16705682 0.87 KCNJ1 (0.48) SIGMAR1KCNH2
SCHEMBL31186159 0.81 BCHE (0.53) BCHEACHEPARP1CHKAKDM4E
SCHEMBL16705656 0.81 BCHE (0.44) BCHEACHEPARP1CHKAKDM4E
SCHEMBL16718704 0.81 BCHE (0.39) BCHEACHEPARP1CHKAKDM4E
SCHEMBL18121367 0.79 CXCR4 (0.52) BCHEACHEPARP1CHKAKDM4E
SCHEMBL465875 0.79 BCHE (0.53) BCHEACHEPARP1KDM4E
SCHEMBL16728791 0.77 BCHE (0.44) BCHEACHEPARP1CHKAKDM4E
SCHEMBL3320134 0.77 BCHE (0.53) BCHEACHEPARP1CHKAKDM4E
SCHEMBL31721289 0.77 BCHE (0.53) BCHEACHEPARP1CHKAKDM4E

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 BCHE 4215/4885ACHE 2031/4885NOS1 2938/4885
US-20160287733-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF SLC39A14, SLC67A1, SLC39A3 BCHE 4215/4885ACHE 2031/4885NOS1 2938/4885

“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.