SCHEMBL2470231

SCHEMBL2470231

CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCN)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
KIT P10721 1/20 0.45
GHSR Q92847 1/20 0.45
TRIM24 O15164 1/20 0.44
BRD1 O95696 1/20 0.44
BRPF1 P55201 1/20 0.44
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
ADRB3 P13945 3/20 0.44
PGR P06401 1/20 0.43
HTR6 P50406 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2468236 0.83 ADRB2 (0.48) ALDH1A1LMNAMAPTPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL4925564 0.82 ADRB2 (0.47) ALDH1A1LMNAMAPTPKMSMN1; SMN2
SCHEMBL2468223 0.81 LMNA (0.46) ALDH1A1LMNAMAPTPKMSMN1; SMN2
SCHEMBL2470506 0.81 RAB9A (0.47) ALDH1A1LMNAMAPTPKMSMN1; SMN2
SCHEMBL2472658 0.80 HTR6 (0.67) ALDH1A1LMNAMAPTPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL4912486 0.79 HTR6 (0.65) ALDH1A1LMNAMAPTPKMSMN1; SMN2
SCHEMBL23419600 0.74 HRH1 (0.42) LMNA
SCHEMBL27680616 0.73 LMNA (0.45) ALDH1A1LMNAMAPTPKMSMN1; SMN2
SCHEMBL1032033 0.71 CACNA1B (0.46) ALDH1A1LMNAMAPTPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL4247175 0.71 CACNA1B (0.45) ALDH1A1LMNAMAPTPKMSMN1; SMN2

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 ALDH1A1 920/4885LMNA 3191/4885MAPT 3878/4885
US-20120220635-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, ADRB3, DRD3 ALDH1A1 426/4885LMNA 4687/4885MAPT 1433/4885

“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.