SCHEMBL7685883

SCHEMBL7685883

Oc1ccccc1N1CCC(CNCC2COc3ccc4occc4c3O2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 14/20 0.56
ADRA1A P35348 14/20 0.56
ADRA1B P35368 14/20 0.56
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
HTR1A P08908 1/20 0.49
HTR2C P28335 1/20 0.49
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7684347 1.00 ADRA1D (0.56) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7681613 0.88 ADRA1D (0.71) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7682614 0.88 ADRA1D (0.71) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7684365 0.82 ADRA1D (0.36) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7684360 0.82 ADRA1D (0.36) ADRA1DADRA1AADRA1BDRD2DRD4
Fumaric Acid SCHEMBL7682140 0.81 ADRA1D (0.62) ADRA1DADRA1AADRA1BDRD2DRD4
Fumaric Acid SCHEMBL7682138 0.81 ADRA1D (0.62) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL6763070 0.78 ADRA1D (0.76) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL6761937 0.78 ADRA1D (0.76) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL6760339 0.76 ADRA1D (0.59) ADRA1DADRA1AADRA1BDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010008903-A1 Therapeutic agents BIRCH ALAN MARTIN (GB) 2001-07-19 US claimed
US-6201004-B1 CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, CARDIOVASCULAR, BRAIN, AND GASTROINTESTINAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2001-03-13 US claimed
US-6353002-B2 DIOXINOINDOLE AND THIENOBENZODIOXIN COMPOUNDS WHICH ARE HT3 RECEPTOR ANTAGONISTS AND ARE USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
US-20010008903-A1 Therapeutic agents BIRCH ALAN MARTIN (GB) 2001-07-19 US disclosed
US-6201004-B1 CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, CARDIOVASCULAR, BRAIN, AND GASTROINTESTINAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
EP-0966470-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1999-12-29 EP disclosed
WO-1998040386-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-17 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-20010008903-A1 Therapeutic agents GPR119, SNCA, HTR2B ADRA1D 105/4885ADRA1A 162/4885ADRA1B 53/4885

“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.