SCHEMBL10072146

SCHEMBL10072146

NCCCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.79
CYP1A2 P05177 2/20 0.79
CYP3A4 P08684 2/20 0.79
CYP2D6 P10635 2/20 0.79
CYP2C9 P11712 2/20 0.79
CYP2C19 P33261 2/20 0.79
HIF1A Q16665 2/20 0.79
MEN1 O00255 2/20 0.79
LMNA P02545 2/20 0.79
KMT2A Q03164 2/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
NFKB1 P19838 1/20 0.79
SLC6A2 P23975 1/20 0.79
ADRA1A P35348 1/20 0.79
OPRK1 P41145 1/20 0.79
SLC6A3 Q01959 1/20 0.79
KCNH2 Q12809 1/20 0.79
SCN5A Q14524 1/20 0.79
SIGMAR1 Q99720 1/20 0.79
BLM P54132 1/20 0.67

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
SCHEMBL4258566 1.00 SLC6A4 (0.79) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27810305 0.91 SLC6A4 (0.74) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4258563 0.91 SLC6A4 (0.74) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13964361 0.91 SLC6A4 (0.78) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16220938 0.91 SLC6A4 (0.77) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
Fluvoxamine SCHEMBL178609 0.88 SLC6A4 (1.00) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
Fluvoxamine SCHEMBL5569574 0.88 SLC6A4 (1.00) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
Fluvoxamine SCHEMBL341698 0.88 SLC6A4 (1.00) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
Fluvoxamine SCHEMBL33983 0.88 SLC6A4 (1.00) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28706942 0.88 SLC6A4 (0.77) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9

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 3 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-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 SLC6A4 20/4885CYP1A2 190/4885CYP3A4 313/4885

“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.