SCHEMBL4356380

SCHEMBL4356380

NCCCC(N)Cc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.54
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
FDPS P14324 1/20 0.44
PTPRA P18433 1/20 0.44
DPP4 P27487 1/20 0.42
HTR2A P28223 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
LIN28A Q9H9Z2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL30819042 1.00 HRH1 (0.54) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27484479 0.89 GRIN2D (0.56) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28581360 0.85 GRIN2D (0.51) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20278959 0.85 GRIN2D (0.51) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16830441 0.84 HRH1 (0.56) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6997949 0.83 GRIN2D (0.66) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22118359 0.82 GRIN2D (0.49) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL230643 0.82 GRIN2D (0.59) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20279216 0.81 GRIN2D (0.54) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20099916 0.81 GRIN2D (0.54) HRH1GRIN2DGRIN3BGRIN1GRIN2A

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
CN-111801102-B Methods and compositions for forming copper-containing complexes and uses thereof 冷泉港实验室 2024-05-28 CN disclosed
CN-112867728-B Copper-chelated (pyridylmethylene) butanediamine derivatives 冷泉港实验室 2024-04-05 CN disclosed
CN-112867728-A Copper chelated (pyridylmethylene) butanediamine derivatives 冷泉港实验室 2021-05-28 CN disclosed
EP-3823977-A1 (PYRIDINYLMETHYL)BUTANEDIAMINE DERIVATIVES THAT CHELATE COPPER Cold Spring Harbor Laboratory (US) 2021-05-26 EP disclosed
US-20200376006-A1 METHOD AND COMPOSITIONS FOR FORMING A COPPER-CONTAINING COMPLEX AND USES THEREOF COLD SPRING HARBOR LABORATORY (US) 2020-12-03 US disclosed
EP-3706757-A1 METHOD AND COMPOSITIONS FOR FORMING A COPPER-CONTAINING COMPLEX AND USES THEREOF Cold Spring Harbor Laboratory (US) 2020-09-16 EP disclosed
WO-2020018893-A1 (PYRIDINYLMETHYL)BUTANEDIAMINE DERIVATIVES THAT CHELATE COPPER COLD SPRING HARBOR LABORATORY (US) 2020-01-23 WO disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO 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 (1 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-20200376006-A1 METHOD AND COMPOSITIONS FOR FORMING A COPPER-CONTAINING COMPLEX AND USES THEREOF PDXK, DMPK, CSNK1A1 HRH1 1673/4885GRIN2D 2540/4885GRIN3B 689/4885

“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.