SCHEMBL1026027

SCHEMBL1026027

Cn1cccc1-c1cc[c]cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2A13 Q16696 1/20 0.48
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX2 P34913 1/20 0.36
TSHR P16473 2/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A4 P31645 2/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL6444709 0.79 PCSK9 (0.73) PCSK9ALDH1A1CYP2A6CYP2A13SLC6A3
SCHEMBL3611446 0.78 ALDH1A1 (0.49) PCSK9ALDH1A1CYP2A6CYP2A13SLC6A3
SCHEMBL28310880 0.76 PCSK9 (0.52) PCSK9ALDH1A1CYP2A6CYP2A13SLC6A3
SCHEMBL197196 0.75 PCSK9 (0.60) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E
SCHEMBL11359663 0.74 PCSK9 (0.50) PCSK9ALDH1A1CYP2A6CYP2A13SLC6A3
SCHEMBL3188837 0.74 PCSK9 (0.50) PCSK9ALDH1A1CYP2A6CYP2A13SLC6A3
SCHEMBL11357896 0.74 PCSK9 (0.50) PCSK9ALDH1A1CYP2A6CYP2A13SLC6A3
SCHEMBL28064456 0.74 EGLN2 (0.46) PCSK9ALDH1A1CYP2A6CYP2A13SLC6A3
SCHEMBL11356121 0.71 PCSK9 (0.47) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E
SCHEMBL28173139 0.71 PCSK9 (0.47) PCSK9ALDH1A1CYP2A6CYP2A13SLC6A3

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969552-B2 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor AbbVie Deutschland GmbH & Co. KG (DE) 2015-03-03 US disclosed
EP-2439203-B1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND (DE) 2014-11-19 EP disclosed
CN-101039904-B Is suitable for treating dopamine D3Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG 2014-09-24 CN disclosed
EP-1812416-B1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-08-21 EP disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-8486984-B2 Aminomethyl substituted bicyclic aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO., KG (DE) 2013-07-16 US disclosed
US-8470810-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-06-25 US disclosed
US-8383641-B2 Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-02-26 US disclosed
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
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
CN-101039900-A 6-amino(aza)indane compounds suitable for treating disorders that respond to modulation of the dopamine d3 receptor ABBOTT GMBH & CO KG (DE) 2007-09-19 CN disclosed
CN-101039904-A Is suitable for treating dopamine D3Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2007-09-19 CN disclosed
EP-1814849-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-08 EP disclosed
WO-2006040182-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
EP-1206241-A1 METHODS OF LIGHTENING KERATINOUS TISSUE BY TOPICAL APPLICATION OF OXIME COMPOUND CONTAINING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-05-22 EP disclosed
WO-2001013882-A1 METHODS OF LIGHTENING KERATINOUS TISSUE BY TOPICAL APPLICATION OF OXIME COMPOUND CONTAINING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-03-01 WO disclosed
EP-0611301-A1 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1994-08-24 EP disclosed
EP-0611301-A4 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS. PROCTER & GAMBLE (US) 1993-03-01 EP disclosed
WO-1991016034-A1 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1991-10-31 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 (1 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-20120220635-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, ADRB3, DRD3 PCSK9 3327/4885ALDH1A1 426/4885CYP2A6 442/4885

“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.