SCHEMBL2474733

SCHEMBL2474733

C=CCNCCc1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.47
FFAR4 Q5NUL3 2/20 0.47
SERPINE1 P05121 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
CYP19A1 P11511 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
IKBKB O14920 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL2472519 0.87 HDAC1 (0.50) FFAR4SERPINE1HDAC1HDAC8HDAC3
Hydrochloric Acid SCHEMBL4922816 0.86 HDAC1 (0.49) FFAR4SERPINE1HDAC1HDAC8HDAC3
SCHEMBL2472065 0.80 HTR6 (0.53) HTR6GPR119CYP19A1IKBKB
SCHEMBL3561481 0.77 MRGPRX4 (0.57) HTR6FFAR4SERPINE1HDAC1HDAC8
SCHEMBL3557532 0.76 SERPINE1 (0.51) HTR6FFAR4SERPINE1HDAC1HDAC8
SCHEMBL3563721 0.74 SERPINE1 (0.51) HTR6FFAR4SERPINE1HDAC1HDAC8
SCHEMBL14458175 0.73 ALOX15 (0.64) FFAR4GPR119HDAC1CYP19A1HDAC4
SCHEMBL31681329 0.73 FFAR4 (0.65) FFAR4GPR119HDAC1HDAC8CYP19A1
SCHEMBL26536748 0.73 HSD17B2 (0.62) FFAR4GPR119HDAC1HDAC8CYP19A1
SCHEMBL2470902 0.72 HDAC3 (0.49) SERPINE1HDAC1HDAC8HDAC3HDAC4

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 4 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

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 HTR6 56/4885FFAR4 124/4885SERPINE1 4239/4885
US-20120220635-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, ADRB3, DRD3 HTR6 72/4885FFAR4 417/4885SERPINE1 3972/4885

“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.