SCHEMBL7525342

SCHEMBL7525342

Clc1ccc(CN2CCN(c3ccc4c(c3)CCCO4)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.56
DRD2 P14416 7/20 0.56
DRD3 P35462 7/20 0.56
MAPT P10636 2/20 0.51
TMEM97 Q5BJF2 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
HTR1A P08908 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
HTR2A P28223 1/20 0.49
ADRA1B P35368 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 1/20 0.44

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 SCHEMBL7530003 0.93 DRD4 (0.50) DRD4DRD2DRD3MAPTTMEM97
SCHEMBL7531148 0.89 DRD2 (0.55) DRD4DRD2DRD3MAPTTMEM97
Oxalic Acid SCHEMBL7520209 0.83 DRD2 (0.49) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL7518794 0.83 DRD4 (0.78) DRD4DRD2DRD3MAPTTMEM97
Oxalic Acid SCHEMBL7528961 0.77 DRD4 (0.68) DRD4DRD2DRD3MAPTTMEM97
SCHEMBL4949696 0.76 CYP2D6 (0.45) DRD4DRD2DRD3SIGMAR1HTR1A
SCHEMBL16802525 0.76 FAAH (0.49) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL6030916 0.75 MAPT (0.83) DRD4DRD2DRD3MAPTSIGMAR1
SCHEMBL4953047 0.75 CYP2D6 (0.44) DRD4DRD2DRD3SIGMAR1HTR1A
SCHEMBL18177903 0.74 KDM4E (0.76) DRD4DRD2DRD3MAPTTMEM97

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 DRD4 28/4885DRD2 9/4885DRD3 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 DRD4 28/4885DRD2 7/4885DRD3 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.