SCHEMBL2472065

SCHEMBL2472065

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.53
SLC2A1 P11166 1/20 0.52
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
PGR P06401 1/20 0.44
IKBKB O14920 1/20 0.43
GHSR Q92847 2/20 0.43
TRIM24 O15164 1/20 0.42
BRD1 O95696 1/20 0.42
BRPF1 P55201 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
GPR119 Q8TDV5 1/20 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
SCHEMBL2470496 0.86 ADRB2 (0.57) ADRB2ADRB1ADRB3MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4915819 0.85 ADRB2 (0.56) ADRB2ADRB1ADRB3MAPTSMN1; SMN2
SCHEMBL2474733 0.80 HTR6 (0.47) HTR6IKBKBGPR119CYP19A1
SCHEMBL3556924 0.75 SLC2A1 (0.52) HTR6SLC2A1MAPTIKBKB
SCHEMBL1718081 0.75 DRD3 (0.42) ADRB2ADRB1ADRB3MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4922945 0.74 DRD3 (0.42) ADRB2ADRB1ADRB3MAPTSMN1; SMN2
SCHEMBL3561071 0.72 HTR6 (0.51) HTR6SLC2A1MAPT
SCHEMBL31681359 0.72 LMNA (0.58) HTR6MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL23988635 0.71 BTK (0.52) MAPTSMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL2470132 0.71 ALDH1A1 (0.44) ADRB3MAPTSMN1; SMN2ALDH1A1LMNA

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 56/4885SLC2A1 1626/4885ADRB2 57/4885
US-20120220635-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, ADRB3, DRD3 HTR6 72/4885SLC2A1 1635/4885ADRB2 32/4885

“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.