SCHEMBL6072407

SCHEMBL6072407

O=C(NCCCCN1CCCC1)c1cc(Oc2ccc3c(c2)CCN3C(=O)O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.46
SCN9A Q15858 3/20 0.46
DRD3 P35462 6/20 0.43
HTR1A P08908 5/20 0.43
HTR2A P28223 5/20 0.43
DRD2 P14416 2/20 0.43
HTR2C P28335 1/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
MET P08581 1/20 0.41
RAF1 P04049 3/20 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
SCHEMBL6071666 0.93 BRAF (0.53) BRAFSCN9ARAF1
SCHEMBL6072360 0.90 SCN9A (0.51) BRAFSCN9AMETRAF1
SCHEMBL6072492 0.88 ADRB2 (0.47) BCHEACHEMET
SCHEMBL6072975 0.86 RAF1 (0.54) BRAFSCN9AMETRAF1
SCHEMBL6072145 0.85 MET (0.47) BRAFMETRAF1
SCHEMBL6072190 0.84 HTT (0.46) BRAFSCN9AMETRAF1
SCHEMBL6071686 0.84 LMNA (0.48) SCN9AMET
SCHEMBL6072403 0.84 FGFR1 (0.39) BRAFMETRAF1
SCHEMBL6072240 0.83 ALDH1A1 (0.49) MET
SCHEMBL6072249 0.83 HRH3 (0.48) BRAFMETRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241149-A1 Chemical compounds ADAMS JERRY L 2006-10-26 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 (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-20060241149-A1 Chemical compounds CHKB, MAP3K20, MAP3K6 BRAF 191/4885SCN9A 4440/4885DRD3 4002/4885

“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.