SCHEMBL21754479

SCHEMBL21754479

CN1CCCC(CCc2ccc(N)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
MAOB P27338 2/20 0.46
LMNA P02545 2/20 0.42
SIGMAR1 Q99720 3/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 2/20 0.40
ADRA2A P08913 2/20 0.40
CHRM1 P11229 2/20 0.40
DRD1 P21728 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ADRA1A P35348 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ABCB11 O95342 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 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
SCHEMBL12090333 0.84 CTSS (0.64) CTSSCTSKCTSLCTSBCTSC
SCHEMBL23183592 0.82 LMNA (0.50) MAOBLMNASIGMAR1HRH3
SCHEMBL12902084 0.82 HRH3 (0.56) MAOBSIGMAR1CHRM1HRH3CHRM5
SCHEMBL14464327 0.79 NFE2L2 (0.53) MAOBALDH1A1TSHRGFER
SCHEMBL18915155 0.77 P2RY6 (0.49) CTSSCTSKMAOBTP53CYP2D6
SCHEMBL611628 0.77 CTSS (0.40) CTSSCTSKMAOBCTSLCTSB
SCHEMBL21471559 0.76 LMNA (0.47) LMNAALDH1A1HRH3
SCHEMBL609357 0.76 CTSS (0.39) CTSSCTSKMAOBHRH3GFER
SCHEMBL2568049 0.75 GFER (0.56) MAOBALDH1A1TSHRGFER
SCHEMBL20067623 0.75 MAOB (0.57) MAOBHRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894096-B2 3,6,9, 15-tetraaza-bicyclo [9.3.1]pentadeca-1(14), 11(15), 12-triene based compounds and their application as ligands of essential metal ion based MRI and 52MN based PET contrast agents DEBRECENI EGYETEM (HU) 2021-01-19 US disclosed
US-20200157099-A1 3,6,9, 15-TETRAAZA-BICYCLO [9.3.1 ]PENTADECA- 1(14), 11(15), 12-TRIENE BASED COMPOUNDS AND THEIR APPLICATION AS LIGANDS OF ESSENTIAL METAL ION BASED MRI AND 52MN BASED PET CONTRAST AGENTS DEBRECENI EGYETEM (HU) 2020-05-21 US disclosed
US-10568976-B2 3,6,9, 15-tetraaza-bicyclo [9.3.1 ]pentadeca-1(14), 11(15), 12-triene based compounds and their application as ligands of essential metal ion based MRI and 52MN based PET contrast agents DEBRECENI EGYETEM (HU) 2020-02-25 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 (3 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-10568976-B2 3,6,9, 15-tetraaza-bicyclo [9.3.1 ]pentadeca-1(14), 11(15), 12-triene based compounds and their application as ligands of essential metal ion based MRI and 52MN based PET contrast agents SLC39A14, SLC39A11, TMEM14C CTSS 3178/4885CTSK 2392/4885MAOB 2795/4885
US-20200157099-A1 3,6,9, 15-TETRAAZA-BICYCLO [9.3.1 ]PENTADECA- 1(14), 11(15), 12-TRIENE BASED COMPOUNDS AND THEIR APPLICATION AS LIGANDS OF ESSENTIAL METAL ION BASED MRI AND 52MN BASED PET CONTRAST AGENTS SLC39A14, SLC39A11, TMEM14C CTSS 3178/4885CTSK 2392/4885MAOB 2795/4885
US-10894096-B2 3,6,9, 15-tetraaza-bicyclo [9.3.1]pentadeca-1(14), 11(15), 12-triene based compounds and their application as ligands of essential metal ion based MRI and 52MN based PET contrast agents SLC39A14, SLC39A11, TMEM14C CTSS 3178/4885CTSK 2392/4885MAOB 2795/4885

“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.