SCHEMBL7220161

SCHEMBL7220161

c1ccc2c(c1)CC(CCN1CCN(c3cccc4cc[nH]c34)CC1)C2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
DRD3 P35462 3/20 0.42
HTR1A P08908 3/20 0.42
HTR7 P34969 3/20 0.42
DRD4 P21917 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
SLC6A4 P31645 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL7220706 0.88 DRD2 (0.47) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL7220048 0.81 DRD2 (0.60) DRD2DRD3HTR1AHTR7DRD4
SCHEMBL29046798 0.77 DRD2 (0.43) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL30610372 0.77 DRD2 (0.43) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL7220932 0.76 HTR7 (0.53) DRD2DRD3HTR1AHTR7DRD4
SCHEMBL7214528 0.74 DRD2 (0.62) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL592475 0.71 PTPN1 (0.39) HTR1AHTR7HTR2AHTR2CSIGMAR1
SCHEMBL9178367 0.71 ALDH1A1 (0.64) HTR1A
SCHEMBL8156167 0.71 DRD2 (0.55) DRD2DRD3DRD4HTR2A
SCHEMBL14507269 0.70 DRD2 (0.63) DRD2DRD3HTR1AHTR7DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 US disclosed
US-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 US disclosed
CN-1246117-A 1, 2-indane or indoline derivatives LUNDBECK & CO AS H (DK) 2000-03-01 CN 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 (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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 DRD2 14/4885DRD3 30/4885HTR1A 5/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 DRD2 14/4885DRD3 30/4885HTR1A 5/4885

“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.