SCHEMBL739944

SCHEMBL739944

Fc1ccc2[nH]cc(CCCCN3CCNCC3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.79
MPO P05164 5/20 0.75
SLC6A4 P31645 1/20 0.65
HTR1D P28221 1/20 0.61
HTR1B P28222 1/20 0.61

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
SCHEMBL9047205 0.96 HTR1A (0.85) HTR1AMPOSLC6A4HTR1DHTR1B
SCHEMBL10072404 0.86 HTR1A (0.81) HTR1AMPOSLC6A4
SCHEMBL4261226 0.83 HTR1A (0.76) HTR1AMPOSLC6A4
SCHEMBL763035 0.83 HTR1A (0.76) HTR1AMPOSLC6A4
SCHEMBL3094934 0.83 HTR1A (0.68) HTR1A
SCHEMBL9635445 0.83 MPO (0.73) HTR1AMPOSLC6A4
SCHEMBL6347575 0.82 HTR1A (0.74) HTR1AMPOSLC6A4
SCHEMBL8557097 0.82 HTR1A (0.70) HTR1AMPOSLC6A4
SCHEMBL28178875 0.82 HTR1A (0.76) HTR1ASLC6A4HTR1DHTR1B
SCHEMBL11243061 0.81 HTR1A (0.71) HTR1AMPOSLC6A4

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 8 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-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
CN-101809000-A Compounds with a combination of cannabinoid-CB1 antagonism and serotonin reuptake inhibition SOLVAY PHARM BV 2010-08-18 CN 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
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 HTR1A 4/4885MPO 3652/4885SLC6A4 20/4885

“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.