SCHEMBL6978860

SCHEMBL6978860

CS(=O)(=O)O.OCC1CCc2ccccc21

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 3/20 0.56
ADRA2B known ✓ P18089 1/20 0.42
ADRA2C known ✓ P18825 1/20 0.42
ADRA1A known ✓ P35348 1/20 0.42
MAOA P21397 3/20 0.56
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HTR6 P50406 3/20 0.45
PDPK1 O15530 1/20 0.45
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL1125363 0.88 HTR6 (0.54) MAOAMAOBMTNR1AMTNR1BHTR6
SCHEMBL29511517 0.88 HTR6 (0.54) MAOAMAOBMTNR1AMTNR1BHTR6
SCHEMBL14015841 0.88 HTR6 (0.54) MAOAMAOBMTNR1AMTNR1BHTR6
SCHEMBL9466306 0.84 ALDH1A1 (0.44) MAOAMAOBMTNR1AMTNR1BHTR6
SCHEMBL11228929 0.82 MAOA (0.48) MAOAMAOBMTNR1AMTNR1BCA1
SCHEMBL7220830 0.79 HTR2A (0.45) MAOAMAOBMTNR1AMTNR1BADRA2B
SCHEMBL6976757 0.79 MTNR1A (0.40) MAOAMAOBMTNR1AMTNR1B
SCHEMBL1125535 0.78 CYP19A1 (0.49) PDPK1
SCHEMBL31522110 0.78 CYP19A1 (0.49) PDPK1
SCHEMBL6522237 0.77 MAOA (0.55) MAOAMAOBCA1CA2HTR6

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-0946538-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
EP-0946542-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 MAOB 36/4885ADRA2B 104/4885ADRA2C 72/4885
US-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 MAOB 657/4885ADRA2B 74/4885ADRA2C 39/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 MAOB 657/4885ADRA2B 74/4885ADRA2C 39/4885

“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.