SCHEMBL7677643

SCHEMBL7677643

COc1ccccc1N1CCC(CN)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
DRD3 P35462 3/20 0.57
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
ADRB1 P08588 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR3A P46098 1/20 0.55
HTR6 P50406 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
ADRA1D P25100 3/20 0.53
ADRA1A P35348 3/20 0.53
ADRA1B P35368 3/20 0.53
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL4915560 0.86 DRD2 (0.59) DRD2DRD3SLC6A2SLC6A4ADRA1D
SCHEMBL4913485 0.86 ALDH1A1 (0.60) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL4913476 0.86 ALDH1A1 (0.60) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL4915562 0.86 DRD2 (0.59) DRD2DRD3SLC6A2SLC6A4ADRA1D
SCHEMBL7816498 0.84 DRD2 (0.50) DRD2SLC6A2SLC6A4ALDH1A1GFER
SCHEMBL13644130 0.83 DRD2 (0.60) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL20129688 0.82 DRD2 (0.62) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL16367745 0.82 DRD2 (0.54) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL20129685 0.80 DRD2 (0.64) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL16367748 0.80 ADRA1D (0.63) DRD2DRD3SLC6A2SLC6A4ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1087964-A1 N-BENZODIOXANYLMETHYL-1-PIPERIDYL-METHYLAMINE COMPOUNDS HAVING AFFINITY FOR 5-HT RECEPTORS KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-04 EP disclosed
US-6201004-B1 CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, CARDIOVASCULAR, BRAIN, AND GASTROINTESTINAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2001-03-13 US 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
EP-0966470-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1999-12-29 EP disclosed
WO-1999062902-A1 N-BENZODIOXANYLMETHYL-1-PIPERIDYL-METHYLAMINE COMPOUNDS HAVING AFFINITY FOR 5-HT RECEPTORS KNOLL AKTIENGESELLSCHAFT (DE) 1999-12-09 WO disclosed
WO-1998040386-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-17 WO 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-20010008903-A1 Therapeutic agents GPR119, SNCA, HTR2B DRD2 94/4885DRD3 159/4885HTR3E 67/4885

“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.