SCHEMBL2470478

SCHEMBL2470478

CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.55
CA2 P00918 6/20 0.53
CA1 P00915 4/20 0.53
ADRB2 P07550 3/20 0.51
ADRB1 P08588 3/20 0.51
ADRB3 P13945 3/20 0.51
RAB9A P51151 1/20 0.50
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NAMPT P43490 1/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL9269171 0.87 CA2 (0.54) GHSRCA2CA1ADRB2ADRB1
SCHEMBL25674677 0.86 CA2 (0.53) CA2CA1RAB9AMAPTPOLB
SCHEMBL12006675 0.85 CA2 (0.52) CA2CA1RAB9AMAPTALDH1A1
SCHEMBL12006676 0.81 CA2 (0.51) CA2CA1RAB9AMAPTALDH1A1
SCHEMBL23693422 0.80 RAB9A (0.48) CA2CA1RAB9APOLBALDH1A1
SCHEMBL6802181 0.80 PTPRB (0.60) CA2CA1NAMPT
SCHEMBL12641164 0.80 CA2 (0.56) CA2CA1ALDH1A1LMNASMN1; SMN2
SCHEMBL22996123 0.79 SMN1; SMN2 (0.54) CA2CA1RAB9APOLBLMNA
SCHEMBL15496615 0.77 LMNA (0.59) GHSRCA2CA1MAPTALDH1A1
SCHEMBL2472476 0.76 ADRB3 (0.51) GHSRADRB2ADRB1ADRB3MAPT

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 6 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-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 GHSR 177/4885CA2 1742/4885CA1 2304/4885
US-20120220635-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, ADRB3, DRD3 GHSR 188/4885CA2 3395/4885CA1 4123/4885

“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.