SCHEMBL1718880

SCHEMBL1718880

CCC(=O)NC1(Cc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP2C19 P33261 2/20 0.44
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 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
SCHEMBL2850347 0.73 APOBEC3A (0.58) CSNK2A2CSNK2BCSNK2A1GAAALDH1A1
SCHEMBL31275156 0.73 TSHR (0.47) ALDH1A1CYP2C19NR3C1PGRAR
SCHEMBL22145338 0.71 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL31275535 0.69 ALDH1A1 (0.49) GAAALDH1A1CYP2C19MAPTNR3C1
SCHEMBL9216138 0.69 ALDH1A1 (0.43) CSNK2A2CSNK2BCSNK2A1ALDH1A1CYP2C19
SCHEMBL1706183 0.69 KMT2A (0.65) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL1717816 0.69 ALDH1A1 (0.58) CSNK2A2CSNK2BCSNK2A1GAAALDH1A1
SCHEMBL22304086 0.68 MEN1 (0.49) MEN1KMT2A
SCHEMBL22338701 0.68 MEN1 (0.49) MEN1KMT2A
SCHEMBL12179295 0.67 CYP2C19 (0.54) GAAALDH1A1CYP2C19MAPTMEN1

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 CSNK2A2 1480/4885CSNK2B 1616/4885CSNK2A1 1302/4885
US-20120220635-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, ADRB3, DRD3 CSNK2A2 1637/4885CSNK2B 1860/4885CSNK2A1 1539/4885

“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.