SCHEMBL6035916

SCHEMBL6035916

NC(=O)N[C@@H]1CC[C@@H](O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.39
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 4/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LIPG Q9Y5X9 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
EPHX1 P07099 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL11590180 1.00 BDKRB1 (0.39) BDKRB1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL11600503 0.83 PTGDR2 (0.42) BDKRB1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL11603441 0.83 PTGDR2 (0.42) BDKRB1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL11600497 0.83 PTGDR2 (0.42) BDKRB1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL11591514 0.80 LMNA (0.47) BDKRB1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL11591268 0.80 KMT2A (0.41) BDKRB1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL11589988 0.79 KMT2A (0.51) BDKRB1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL1265760 0.79 MTNR1A (0.41) BDKRB1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL15007184 0.79 MTNR1A (0.41) BDKRB1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL19215849 0.79 MTNR1A (0.41) BDKRB1TAS1R3TAS1R1TAS1R2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 US claimed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 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-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 SOD1, SOD3, CAT BDKRB1 4605/4885TAS1R3 4269/4885TAS1R1 3974/4885

“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.