SCHEMBL18110236

SCHEMBL18110236

O=C(O)c1cccc(CN2CCCN3CCCN(CCCN(CCc4ccc(N=C=S)cc4)CC3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX12 P18054 1/20 0.43
HRH3 Q9Y5N1 4/20 0.41
HRH1 P35367 3/20 0.41
OPRD1 P41143 1/20 0.37
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
CHRM1 P11229 1/20 0.36
PRKAA2 P54646 1/20 0.35
KCNH2 Q12809 2/20 0.34
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRA1B P35368 1/20 0.34
P2RY6 Q15077 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL18110284 1.00 CYP2D6 (0.43) CYP2D6TP53CYP1A2CYP3A4ALOX12
SCHEMBL16705683 0.85 SIGMAR1 (0.44) CYP2D6CYP1A2CYP3A4HRH3HRH1
SCHEMBL17797163 0.83 MC4R (0.41) CYP2D6TP53CYP1A2CYP3A4ALOX12
SCHEMBL29556200 0.83 MC4R (0.41) CYP2D6TP53CYP1A2CYP3A4ALOX12
SCHEMBL16705714 0.82 HRH3 (0.39) HRH3HRH1PRKAA2KCNH2MBTD1
SCHEMBL16705685 0.82 HRH3 (0.39) HRH3HRH1PRKAA2KCNH2MBTD1
SCHEMBL16728884 0.81 GRIN1 (0.35) CYP2D6TP53CYP1A2CYP3A4ALOX12
SCHEMBL16705655 0.81 GNE (0.46) CYP2D6TSHRHIF1AFAAH
SCHEMBL30319456 0.81 GNE (0.46) CYP2D6TSHRHIF1AFAAH
SCHEMBL16705657 0.81 GNE (0.46) CYP2D6TSHRHIF1AFAAH

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 8 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

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 CYP2D6 568/4885TP53 2224/4885CYP1A2 845/4885
US-20160287733-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF SLC39A14, SLC67A1, SLC39A3 CYP2D6 568/4885TP53 2224/4885CYP1A2 845/4885

“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.