SCHEMBL762564

SCHEMBL762564

c1ccc2c(CCN3CCNCC3)c[nH]c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.78
HTR1A P08908 3/20 0.68
DRD2 P14416 3/20 0.58
DRD3 P35462 2/20 0.58
DRD1 P21728 1/20 0.58
DRD4 P21917 1/20 0.58
DRD5 P21918 1/20 0.58
BCHE P06276 1/20 0.58
CYP2D6 P10635 1/20 0.58
SLC6A4 P31645 2/20 0.57
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
HTR6 P50406 1/20 0.55
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL1377300 0.91 HTR1A (0.83) HTR2AHTR1ADRD2DRD3SLC6A4
SCHEMBL6465788 0.91 HTR2A (0.88) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL28178875 0.90 HTR1A (0.76) HTR2AHTR1ADRD2DRD3SLC6A4
SCHEMBL25295661 0.88 HTR2A (1.00) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL733629 0.88 HTR2A (0.94) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL29543272 0.88 HTR2A (0.94) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL734226 0.86 HTR2A (0.91) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL32669458 0.86 HTR2A (0.91) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL20244861 0.85 HTR2A (0.78) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL735143 0.85 HTR2A (0.78) HTR2AHTR1ADRD2DRD3DRD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138174-B2 Such as N-{1-[7-(2-amino-ethoxyimino)-7-[4-(trifluoromethyl)phenyl]heptylamino]-1-[3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-methylidene)-4-chloro-benzenesulfonamide; pain. psychosis, anxiety, depression, attention deficits, cognitive disorders, obesity; neurodegenerative disorders SOLVAY PHARMACEUTICALS B.V. (NL) 2012-03-20 US disclosed
US-8138174-B2 Such as N-{1-[7-(2-amino-ethoxyimino)-7-[4-(trifluoromethyl)phenyl]heptylamino]-1-[3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-methylidene)-4-chloro-benzenesulfonamide; pain. psychosis, anxiety, depression, attention deficits, cognitive disorders, obesity; neurodegenerative disorders SOLVAY PHARMACEUTICALS B.V. (NL) 2012-03-20 US disclosed
US-20080214559-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2008-09-04 US disclosed
US-20080214559-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2008-09-04 US disclosed
WO-2008084057-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2008-07-17 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-20080214559-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION CNR1, OPRL1, CNR2 HTR2A 16/4885HTR1A 4/4885DRD2 22/4885

“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.