SCHEMBL7684155

SCHEMBL7684155

COc1ccccc1N1CCC(C)CC1.NCC1COc2ccc3[nH]ncc3c2O1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.47
ADRA1B P35368 9/20 0.47
ADRA1D P25100 8/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR1A P08908 4/20 0.44
HTR2C P28335 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 2/20 0.36
HTR2A P28223 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NTSR1 P30989 1/20 0.36
MEN1 O00255 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
SCHEMBL7684198 0.86 ADRA1D (0.49) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL7684152 0.84 ADRA1D (0.69) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL7798418 0.84 ADRA1A (0.47) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL7685638 0.84 ADRA1D (0.69) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL7473671 0.84 ADRA1D (0.59) ADRA1AADRA1BADRA1DADRA2AADRA2B
Hydrochloric Acid SCHEMBL8130944 0.83 ADRA1D (0.58) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL7979249 0.82 ADRA1D (0.48) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL7466853 0.81 ADRA1D (0.66) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL7474546 0.81 ADRA1D (0.69) ADRA1AADRA1BADRA1DADRA2AADRA2B
Hydrochloric Acid SCHEMBL8117955 0.81 ADRA1D (0.64) ADRA1AADRA1BADRA1DADRA2AADRA2B

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 9 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
EP-0966470-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1999-12-29 EP claimed
WO-1998040386-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-17 WO 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 ADRA1A 162/4885ADRA1B 53/4885ADRA1D 105/4885

“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.