SCHEMBL7528437

SCHEMBL7528437

COc1ccccc1CN1CCN(c2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.64
DRD3 P35462 8/20 0.64
DRD4 P21917 7/20 0.64
GAA P10253 1/20 0.55
HTR7 P34969 2/20 0.54
HTR1A P08908 2/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2C P18825 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 4/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 1/20 0.51
HRH2 P25021 3/20 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
Oxalic Acid SCHEMBL7519823 0.94 MEN1 (0.58) DRD2DRD3DRD4GAAHTR7
SCHEMBL7521522 0.81 ALDH1A1 (0.63) DRD2DRD3DRD4GAAHTR1A
SCHEMBL7527501 0.78 DRD4 (0.71) DRD2DRD3DRD4GAASIGMAR1
SCHEMBL7523368 0.78 DRD2 (0.66) DRD2DRD3DRD4GAASIGMAR1
Hydrochloric Acid SCHEMBL7525468 0.77 DRD4 (0.74) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL11181307 0.76 DRD2 (0.64) DRD2DRD3DRD4GAAHTR7
Oxalic Acid SCHEMBL7524840 0.76 ALDH1A1 (0.57) DRD2DRD3DRD4GAAHTR1A
Hydrochloric Acid SCHEMBL11190314 0.75 DRD2 (0.63) DRD2DRD3DRD4GAAHTR7
SCHEMBL7527827 0.74 DRD2 (1.00) DRD2DRD3DRD4GAAHTR1A
SCHEMBL7520032 0.74 DRD2 (0.76) DRD2DRD3DRD4HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099056-A1 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkypiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-07-25 US claimed
US-6333329-B2 USEFUL FOR TREATMENT AND/OR PREVENTION OF NEUROPSYCHOLOGICAL DISORDERS INCLUDING SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, DRUG ABUSE, PARKINSON-LIKE MOTOR DISORDERS AND MOTION DISORDERS NEUROGEN CORPORATION 2001-12-25 US claimed
US-20010005753-A1 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkylpiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2001-06-28 US claimed
EP-1091949-A2 6-(4-ARYLALKYLPIPERAZIN-1-YL)BENZODIOXANE AND 6-(4-ARYLALKYLPIPERAZIN-1-YL)CHROMANE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-04-18 EP claimed
US-6177566-B1 TREATMENT AND/OR PREVENTION OF NEUROPSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-01-23 US claimed
WO-2000000489-A2 6-(4-ARYLALKYLPIPERAZIN-1-YL)BENZODIOXANE AND 6-(4-ARYLALKYLPIPERAZIN-1-YL)CHROMANE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-01-06 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20010005753-A1 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkylpiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands CHRNA6, HTR2C, HTR3C DRD2 9/4885DRD3 22/4885DRD4 28/4885
US-20020099056-A1 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkypiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands CHRNA6, HTR3C, HTR2C DRD2 7/4885DRD3 21/4885DRD4 28/4885

“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.