SCHEMBL1717816

SCHEMBL1717816

CCC(=O)NC(C)(C)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
TSHR P16473 2/20 0.46
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL27515138 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL6675476 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL2466285 0.80 TSHR (0.51) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL14185300 0.78 KDM4E (0.62) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1718875 0.78 CYP3A4 (0.61) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL2850347 0.75 APOBEC3A (0.58) ALDH1A1MEN1KMT2ACSNK2A2CSNK2B
SCHEMBL1627332 0.74 TSHR (0.53) ALDH1A1KDM4ETSHRPOLB
SCHEMBL75530 0.73 LOXL2 (0.55) ALDH1A1TSHRTHRBHPGDPOLB
SCHEMBL6667989 0.73 TSHR (0.49) ALDH1A1TSHR
SCHEMBL3080086 0.73 TSHR (0.49) ALDH1A1TSHRTHRBHPGD

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 7 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-1809597-B1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2012-01-11 EP 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 920/4885KDM4E 2730/4885MEN1 2325/4885
US-20120220635-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, ADRB3, DRD3 ALDH1A1 426/4885KDM4E 2517/4885MEN1 2769/4885

“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.