SCHEMBL6968070

SCHEMBL6968070

CS(=O)(=O)OCC1CCc2ccc(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
IDO1 P14902 7/20 0.36
MTNR1A P48039 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
AKR1C3 P42330 1/20 0.35
NQO2 P16083 3/20 0.34
MTNR1B P49286 3/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL6968064 0.82 PPARD (0.41) PPARDPPARADRD2DRD3IDO1
SCHEMBL6976751 0.81 HTR2C (0.38) MTNR1ANQO2MTNR1B
SCHEMBL7220825 0.81 HTR2C (0.44) MTNR1ANQO2MTNR1B
SCHEMBL9630429 0.80 MTNR1A (0.56) MTNR1ANQO2MTNR1B
SCHEMBL18430852 0.79 DRD2 (0.49) PPARDPPARADRD2DRD3IDO1
SCHEMBL6978852 0.77 CA2 (0.45) IDO1MTNR1AMTNR1B
SCHEMBL14143008 0.77 CA2 (0.45) IDO1MTNR1AMTNR1B
SCHEMBL7214795 0.77 GRIN2B (0.41) DRD2
SCHEMBL6971110 0.76 DRD2 (0.46) PPARDPPARADRD2DRD3IDO1
SCHEMBL16744692 0.73 SRD5A1 (0.41) PPARDPPARA

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 PPARD 1268/4885PPARA 3344/4885DRD2 1/4885
US-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 PPARD 1002/4885PPARA 1432/4885DRD2 14/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 PPARD 1002/4885PPARA 1432/4885DRD2 14/4885

“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.