SCHEMBL7522497

SCHEMBL7522497

CC(C)n1c(NCCN2CCN(c3ccccn3)CC2)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.48
DRD4 P21917 4/20 0.47
SLC6A4 P31645 1/20 0.46
HTR1A P08908 3/20 0.45
DRD3 P35462 3/20 0.45
HTR2A P28223 2/20 0.45
DRD2 P14416 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2C P28335 1/20 0.45
HTR1E P28566 1/20 0.45

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 SCHEMBL7526659 0.99 GRM2 (0.54) GRM2ALDH1A1KDM4ELMNADRD4
SCHEMBL7516307 0.85 ALDH1A1 (0.57) GRM2ALDH1A1KDM4EDRD4SLC6A4
SCHEMBL7528484 0.84 ALDH1A1 (0.58) GRM2ALDH1A1KDM4ELMNADRD4
Bromide SCHEMBL7520978 0.84 ALDH1A1 (0.56) GRM2ALDH1A1KDM4EDRD4SLC6A4
Bromide SCHEMBL7519489 0.84 ALDH1A1 (0.57) GRM2ALDH1A1KDM4ELMNADRD4
SCHEMBL976546 0.74 DRD2 (0.57) DRD4HTR1ADRD3HTR2ADRD2
SCHEMBL7523547 0.73 DRD4 (0.64) ALDH1A1LMNADRD4HTR1ADRD3
SCHEMBL7520250 0.73 DRD4 (0.49) GRM2DRD4SLC6A4HTR1ADRD3
SCHEMBL7519030 0.73 DRD4 (0.67) GRM2ALDH1A1KDM4EDRD4SLC6A4
Bromide SCHEMBL7519988 0.72 DRD4 (0.65) GRM2ALDH1A1KDM4EDRD4SLC6A4

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 GRM2 84/4885ALDH1A1 1077/4885KDM4E 4376/4885

“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.