SCHEMBL3034976

SCHEMBL3034976

O=[N+]([O-])c1ccc2c(c1)O[C@@H](CCO)CO2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.49
CHRNA3 P32297 4/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
PNMT P11086 2/20 0.42
HTT P42858 1/20 0.42
MTNR1A P48039 1/20 0.41
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
AKR1B1 P15121 1/20 0.38

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
SCHEMBL3029057 0.89 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2APNMT
SCHEMBL3033668 0.89 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2APNMT
SCHEMBL6070253 0.83 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2AMAPT
SCHEMBL21213913 0.83 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2AMAPT
SCHEMBL5845776 0.83 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2AMAPT
SCHEMBL4858827 0.83 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2AMAPT
SCHEMBL1011267 0.83 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2APNMT
SCHEMBL1011265 0.83 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2APNMT
SCHEMBL5937089 0.80 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2AHTT
SCHEMBL5582827 0.80 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2AMAPT

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-8466296-B2 Compounds and processes for preparing substituted aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-ones LIGAND PHARMACEUTICALS (US) 2013-06-18 US disclosed
US-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES NEUROGEN CORPORATION (US) 2010-08-26 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-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES MTNR1A, HTR3C, MTNR1B CHRNB4 250/4885CHRNA3 150/4885MEN1 3210/4885

“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.