SCHEMBL7523368

SCHEMBL7523368

COc1cccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.66
DRD4 P21917 4/20 0.66
DRD3 P35462 4/20 0.66
MAPT P10636 2/20 0.62
TSHR P16473 1/20 0.62
SIGMAR1 Q99720 1/20 0.59
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
GFER P55789 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2D6 P10635 1/20 0.54
PTK2 Q05397 1/20 0.54
CASP1 P29466 1/20 0.52
CASP4 P49662 1/20 0.52
CASP5 P51878 1/20 0.52
POLB P06746 1/20 0.52

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 SCHEMBL7521922 0.94 DRD2 (0.59) DRD2DRD4DRD3MAPTTSHR
SCHEMBL7527501 0.87 DRD4 (0.71) DRD2DRD4DRD3MAPTSIGMAR1
SCHEMBL7517306 0.82 DRD2 (0.67) DRD2DRD4DRD3MAPTTSHR
Hydrochloric Acid SCHEMBL7525468 0.81 DRD4 (0.74) DRD2DRD4DRD3TSHRSIGMAR1
Oxalic Acid SCHEMBL7523549 0.81 DRD4 (0.63) DRD2DRD4DRD3MAPTKDM4E
SCHEMBL8570664 0.80 SIGMAR1 (0.81) DRD2DRD4MAPTTSHRSIGMAR1
SCHEMBL28186295 0.79 SIGMAR1 (0.90) DRD2MAPTTSHRSIGMAR1KDM4E
SCHEMBL20804357 0.79 SIGMAR1 (0.90) DRD2MAPTTSHRSIGMAR1KDM4E
SCHEMBL6703194 0.79 SIGMAR1 (0.66) DRD2DRD4DRD3MAPTTSHR
SCHEMBL28802676 0.79 SIGMAR1 (0.66) DRD2DRD4DRD3MAPTTSHR

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 9/4885DRD4 28/4885DRD3 22/4885
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 7/4885DRD4 28/4885DRD3 21/4885

“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.