SCHEMBL6314141

SCHEMBL6314141

C1CCN2CCNCCNCC2C1

nearest known ligand 0.92

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.92
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL3 Q96JM7 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HRH3 Q9Y5N1 1/20 0.33
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
RAD52 P43351 1/20 0.31
HTR2A P28223 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30

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
Bromide SCHEMBL3975460 0.98 HTR6 (0.88) HTR6HPGDKMT2ASMN1; SMN2L3MBTL3
Bromide SCHEMBL6316273 0.98 HTR6 (0.88) HTR6HPGDKMT2ASMN1; SMN2L3MBTL3
SCHEMBL29855108 0.96 HTR6 (0.85) HTR6HPGDKMT2ASMN1; SMN2L3MBTL3
SCHEMBL65291 0.96 HTR6 (1.00) HTR6HPGDKMT2ASMN1; SMN2L3MBTL3
SCHEMBL3522066 0.96 HTR6 (1.00) HTR6HPGDKMT2ASMN1; SMN2L3MBTL3
SCHEMBL1190916 0.96 HTR6 (1.00) HTR6HPGDKMT2ASMN1; SMN2L3MBTL3
SCHEMBL8501091 0.94 HTR6 (0.96) HTR6HPGDKMT2ASMN1; SMN2L3MBTL3
SCHEMBL8503565 0.94 HTR6 (0.96) HTR6HPGDKMT2ASMN1; SMN2L3MBTL3
Hydrochloric Acid SCHEMBL20522843 0.94 HTR6 (0.96) HTR6HPGDKMT2ASMN1; SMN2L3MBTL3
SCHEMBL8502194 0.94 HTR6 (0.96) HTR6HPGDKMT2ASMN1; SMN2L3MBTL3

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-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity CONCAT LP, A CALIFORNIA LIMITED PARTNERSHIP (US) 2005-05-26 US disclosed
US-6881732-B2 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements CHELATOR LLC (US) 2005-04-19 US disclosed
US-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements CONCAT, LTD. A CALIFORNIA LIMITED PARTNERSHIP (US) 2004-01-08 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-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements SOD1, SLC39A11, SLC40A1 HTR6 1943/4885HPGD 275/4885KMT2A 2919/4885
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity SLC39A14, CHIA, CA2 HTR6 4862/4885HPGD 2037/4885KMT2A 607/4885

“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.