SCHEMBL4101810

SCHEMBL4101810

O=[N+]([O-])c1ccc2c(c1)[C@@H]1CCCN[C@H]1CC2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.43
ADRA2A P08913 2/20 0.43
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HSD11B1 P28845 1/20 0.42
DRD2 P14416 1/20 0.42
GRIN2B Q13224 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL4100200 0.90 HSD11B1 (0.45) PNMTADRA2ACHRNB4CHRNA3NOS3
SCHEMBL7789458 0.79 SRD5A1 (0.53) PNMTADRA2ACHRNB4CHRNA3NOS3
SCHEMBL7789459 0.79 SRD5A1 (0.53) PNMTADRA2ACHRNB4CHRNA3NOS3
SCHEMBL15139398 0.76 HSD11B1 (0.47) CHRNB2CHRNA4HSD11B1DRD2GRIN2B
SCHEMBL9964012 0.76 HSD11B1 (0.47) CHRNB2CHRNA4HSD11B1DRD2GRIN2B
SCHEMBL9964013 0.76 HSD11B1 (0.47) CHRNB2CHRNA4HSD11B1DRD2GRIN2B
SCHEMBL1870733 0.76 HSD11B1 (0.47) CHRNB2CHRNA4HSD11B1DRD2GRIN2B
SCHEMBL1949282 0.76 HSD11B1 (0.47) CHRNB2CHRNA4HSD11B1DRD2GRIN2B
SCHEMBL18898193 0.76 HSD11B1 (0.47) CHRNB2CHRNA4HSD11B1DRD2GRIN2B
SCHEMBL1870732 0.76 HSD11B1 (0.47) CHRNB2CHRNA4HSD11B1DRD2GRIN2B

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-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-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-20090012074-A1 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) 2009-01-08 US disclosed
WO-2006040178-A9 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2007-04-19 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-20090012074-A1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the Dopamine D3 receptor ADRB3, SLC6A3, NR3C2 PNMT 1780/4885ADRA2A 28/4885CHRNB4 266/4885

“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.