SCHEMBL1717366

SCHEMBL1717366

CCCNC(=O)Cc1ccc(CS(=O)(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 1/20 0.45
RORC P51449 2/20 0.45
HPGD P15428 1/20 0.44
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD3 P35462 2/20 0.42
KCNH2 Q12809 2/20 0.42
DRD2 P14416 1/20 0.42
CA7 P43166 2/20 0.42
CNR2 P34972 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
PDK2 Q15119 1/20 0.42

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
SCHEMBL17658918 0.87 HPGD (0.55) KMT2ARAB9AHPGDCA1CA2
SCHEMBL1718452 0.80 DRD3 (0.48) CA1CA2CA12ALDH1A1DRD3
SCHEMBL1718450 0.79 DRD3 (0.47) KMT2ARORCCA1CA2CA12
SCHEMBL1718790 0.78 DRD3 (0.45) GAARAB9ACA1CA2CA12
Hydrochloric Acid SCHEMBL4918778 0.77 DRD3 (0.44) GAARAB9ACA1CA2CA12
SCHEMBL18232424 0.74 PDK2 (0.65) KMT2ARAB9AHPGDALDH1A1LMNA
SCHEMBL10180212 0.72 TSHR (0.57) GAASMN1; SMN2DRD3KCNH2DRD2
SCHEMBL14598173 0.72 MAPT (0.56) RAB9AALDH1A1DRD3KCNH2DRD2
SCHEMBL13481192 0.72 ALDH1A1 (0.61) GAAKMT2ARAB9AHPGDCA1
SCHEMBL13883780 0.72 HPGD (0.55) GAAKMT2ARAB9AHPGDLMNA

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-20120220635-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-08-30 US disclosed
US-8232426-B2 N-[4-((S)-2-Propylamino-propyl)-phenyl]-4-trifluoromethoxy-benzenesulfonamide; Dipropyl-{2-[4-(4-trifluoromethoxy-benzenesulfonylmethyl)-phenyl]-ethyl}-dipropyl-amine salt, psychological, nervous system disorders such as schizophernia, bipolar, dyskinesias, tourette syndrome, depression, sleep disorder ABBOTT GMBH & CO. KG (DE) 2012-07-31 US disclosed
EP-1809597-B1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2012-01-11 EP disclosed
EP-2371814-A1 Aminoethylaromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-10-05 EP disclosed
US-20080096934-A1 Aminoethylaromatic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor ABBOTT GMBH & CO. KG (DE) 2008-04-24 US disclosed
EP-1809597-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006040179-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 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 (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-20080096934-A1 Aminoethylaromatic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor MC3R, DRD3, ADORA3 GAA 3935/4885KMT2A 2136/4885RAB9A 1185/4885
US-20120220635-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, ADRB3, DRD3 GAA 928/4885KMT2A 2049/4885RAB9A 1326/4885

“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.