SCHEMBL6767394

SCHEMBL6767394

COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 17/20 1.00
ADRA1A P35348 17/20 1.00
ADRA1B P35368 17/20 1.00
HTR1A P08908 3/20 1.00
DRD2 P14416 1/20 1.00
DRD4 P21917 1/20 1.00
HTR2C P28335 1/20 1.00
DRD3 P35462 1/20 1.00
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6766884 1.00 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7474062 0.97 ADRA1D (0.94) ADRA1DADRA1AADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL8126382 0.95 ADRA1D (0.91) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7469729 0.91 ADRA1D (0.84) ADRA1DADRA1AADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL8125395 0.91 ADRA1D (0.83) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7466851 0.89 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7467019 0.89 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7468922 0.89 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL8117952 0.88 ADRA1D (0.98) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6763070 0.86 ADRA1D (0.76) ADRA1DADRA1AADRA1BHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198234-A2 BICYCLIC AROMATIC COMPOUNDS FOR TREATING DRUG ADDICTION Knoll GmbH (DE) 2002-04-24 EP claimed
WO-2001002391-A2 BICYCLIC AROMATIC COMPOUNDS FOR TREATING DRUG ADDICTION KNOLL GMBH (DE) 2001-01-11 WO claimed
EP-0717739-B1 1,4-Benzodioxane derivatives having affinity for D2 receptors and utility in the treatment of psychoses KNOLL AG (DE) 2000-03-29 EP claimed
US-5767116-A TREATING PSYCHOSES KNOLL ATKIENGESELLSCHAFT (DE) 1998-06-16 US claimed
EP-0717739-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-06-26 EP claimed
WO-1995007274-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-03-16 WO claimed
US-20040039023-A1 Therapeutic agents KNOLL GMBH (DE) 2004-02-26 US disclosed
EP-1198234-A2 BICYCLIC AROMATIC COMPOUNDS FOR TREATING DRUG ADDICTION Knoll GmbH (DE) 2002-04-24 EP disclosed
WO-2001002391-A2 BICYCLIC AROMATIC COMPOUNDS FOR TREATING DRUG ADDICTION KNOLL GMBH (DE) 2001-01-11 WO disclosed
EP-0717739-B1 1,4-Benzodioxane derivatives having affinity for D2 receptors and utility in the treatment of psychoses KNOLL AG (DE) 2000-03-29 EP disclosed
US-5767116-A TREATING PSYCHOSES KNOLL ATKIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
EP-0717739-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-06-26 EP disclosed
WO-1995007274-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-03-16 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-20040039023-A1 Therapeutic agents AMY1A, PARK7, SNCA ADRA1D 16/4885ADRA1A 27/4885ADRA1B 84/4885

“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.