SCHEMBL7528158

SCHEMBL7528158

CC(C)Oc1ccccc1N1CCN(CCNc2nc3ccccc3n2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 10/20 0.56
ADRA1B P35368 9/20 0.56
ADRA1D P25100 8/20 0.56
HTR1A P08908 7/20 0.53
SLC6A4 P31645 1/20 0.50
DRD2 P14416 1/20 0.46
DRD3 P35462 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
Bromide SCHEMBL7518122 0.99 ADRA1A (0.55) ADRA1AADRA1BADRA1DHTR1ASLC6A4
SCHEMBL7528127 0.88 HTR1A (0.68) ADRA1AADRA1BADRA1DHTR1ADRD2
Bromide SCHEMBL7532131 0.87 HTR1A (0.67) ADRA1AADRA1BADRA1DHTR1ADRD2
SCHEMBL7527192 0.79 HTR1A (0.62) ADRA1AHTR1ADRD2DRD3
Bromide SCHEMBL7526692 0.78 HTR1A (0.61) ADRA1AHTR1ADRD2DRD3
SCHEMBL7532173 0.75 ADRA1D (0.48) ADRA1AADRA1BADRA1DHTR1A
Bromide SCHEMBL7528092 0.74 ADRA1D (0.48) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL7528484 0.73 ALDH1A1 (0.58) HTR1ADRD2DRD3
Bromide SCHEMBL7519489 0.73 ALDH1A1 (0.57) HTR1ADRD2DRD3
SCHEMBL11679440 0.73 ADRA1D (0.59) ADRA1AADRA1BADRA1DHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 US claimed
US-6284759-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2001-09-04 US claimed
US-6432958-B1 FOR THERAPY AND PROPHYLAXIS OF NEUROPSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE, MOTOR DISORDERS AND MOTION DISORDERS RELATED TO USE OF NEUROLEPTIC AGENT NEUROGEN CORPORATION 2002-08-13 US disclosed
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 US disclosed
US-6284759-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2001-09-04 US 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-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands CHRNA7, HTR7, OPRD1 ADRA1A 74/4885ADRA1B 67/4885ADRA1D 83/4885

“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.