SCHEMBL6968064

SCHEMBL6968064

CS(=O)(=O)O.N#Cc1ccc2c(c1)C(CO)CC2

nearest known ligand 0.41

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 12)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 2/20 0.41
DRD3 known ✓ P35462 2/20 0.41
MAOB known ✓ P27338 1/20 0.40
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
MAOA P21397 1/20 0.40
MTNR1A P48039 6/20 0.38
IDO1 P14902 5/20 0.38
NQO2 P16083 4/20 0.38
MTNR1B P49286 4/20 0.38
KCNE1 P15382 2/20 0.37
KCNQ1 P51787 2/20 0.37

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
SCHEMBL6971110 0.90 DRD2 (0.46) PPARDPPARADRD2DRD3IDO1
SCHEMBL6968070 0.82 PPARD (0.41) PPARDPPARADRD2DRD3MTNR1A
SCHEMBL6976757 0.80 MTNR1A (0.40) MAOAMAOBMTNR1ANQO2MTNR1B
SCHEMBL7220830 0.80 HTR2A (0.45) MAOAMAOBMTNR1ANQO2MTNR1B
SCHEMBL18430852 0.79 DRD2 (0.49) PPARDPPARADRD2DRD3MTNR1A
SCHEMBL6978860 0.76 MAOA (0.56) MAOAMAOBMTNR1AMTNR1B
SCHEMBL7214802 0.75 PNMT (0.42) DRD2
SCHEMBL7214798 0.75 PNMT (0.42) DRD2
SCHEMBL22070889 0.72 DRD2 (0.41) DRD2DRD3MTNR1AIDO1NQO2
SCHEMBL24593570 0.72 DRD2 (0.50) DRD2DRD3IDO1

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 DRD2 1/4885DRD3 6/4885MAOB 36/4885
US-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 DRD2 14/4885DRD3 30/4885MAOB 657/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 DRD2 14/4885DRD3 30/4885MAOB 657/4885

“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.