SCHEMBL2473984

SCHEMBL2473984

C=CCN(CCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.50
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
SERPINE1 P05121 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
RORC P51449 1/20 0.41
TP53 P04637 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40

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
SCHEMBL5334365 0.89 HDAC1 (0.51) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL2472476 0.85 ADRB3 (0.51) ADRB3HDAC8SMN1; SMN2FFAR4LIMK1
SCHEMBL2473909 0.83 HDAC1 (0.49) HDAC1HDAC8HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL4919634 0.82 HDAC1 (0.48) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4524284 0.76 L3MBTL1 (0.37) HDAC1HDAC3HDAC2SMN1; SMN2MAPT
SCHEMBL2472519 0.76 HDAC1 (0.50) ADRB3HDAC1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL4922816 0.75 HDAC1 (0.49) ADRB3HDAC1HDAC8HDAC3HDAC4
SCHEMBL4523925 0.74 MAPT (0.51) ADRB3SMN1; SMN2LMNAMAPT
SCHEMBL16042432 0.74 DAGLA (0.40) FFAR4FFAR1
SCHEMBL2468724 0.73 ADRB3 (0.40) ADRB3RORCBMP1GHSR

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 ADRB3 4/4885HDAC1 2375/4885HDAC8 2622/4885
US-20120220635-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, ADRB3, DRD3 ADRB3 2/4885HDAC1 3046/4885HDAC8 3757/4885

“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.