SCHEMBL6978852

SCHEMBL6978852

CS(=O)(=O)OCC1CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
HTR6 P50406 3/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
IDO1 P14902 2/20 0.40
PDPK1 O15530 1/20 0.40
BCHE P06276 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ACHE P22303 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL14143008 1.00 CA2 (0.45) CA2CA1MAOAMAOBHTR6
SCHEMBL9370324 0.84 MTNR1A (0.39) CA2CA1MAOAMAOBMTNR1A
SCHEMBL7723181 0.82 ALDH1A1 (0.48) CA2CA1HTR6PDE4APDE4B
SCHEMBL4637265 0.81 MTNR1A (0.42) MAOAMAOBHTR6MTNR1AMTNR1B
SCHEMBL7220825 0.80 HTR2C (0.44) MAOAMAOBMTNR1AMTNR1BPDE4A
SCHEMBL16744692 0.80 SRD5A1 (0.41) CA2CA1HTR6
SCHEMBL6976751 0.80 HTR2C (0.38) MTNR1AMTNR1B
SCHEMBL9630429 0.79 MTNR1A (0.56) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL28768460 0.78 HTR6 (0.50) MAOAMAOBHTR6MTNR1AMTNR1B
SCHEMBL6968070 0.77 PPARD (0.41) MTNR1AMTNR1BIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946538-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2003-08-06 EP disclosed
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-6436940-B1 2002-08-20 US disclosed
US-6436940-B2 COMBINED EFFECTS OF DOPAMINE D4 RECEPTOR LIGANDS AND SEROTONIN REUPTAKE INHIBITORS; SCHIZOPHRENIA; ANTIDEPRESSANT; ANXIOLYTIC AGENTS; PSYCHOLOGICAL DISORDERS; PANIC, SLEEP AND OBSESSIVE COMPULSIVE DISORDERS; ANTIISCHEMIC AGENTS H. LUNDBECK A/S (DK) 2002-08-20 US 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-6331544-B1 TREATING POSITIVE AND NEGATIVE SYMPTOMS OF SCHIZOPHRENIA AND OTHER PSYCHOSES H. LUNDBECK A/S (DK) 2001-12-18 US disclosed
US-20010051625-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-12-13 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
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
EP-0946538-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 WO disclosed
WO-1998028290-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1998-07-02 WO 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 (3 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-20010051625-A1 Indane or dihydroindole derivatives DRD2, SLC6A3, DRD1 CA2 4746/4885CA1 4532/4885MAOA 66/4885
US-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 CA2 1962/4885CA1 2350/4885MAOA 477/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 CA2 1962/4885CA1 2350/4885MAOA 477/4885

“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.