SCHEMBL5785239

SCHEMBL5785239

Fc1ccc(-c2nc(NC3CCNCC3)nc3ccccc23)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.47
CHEK1 O14757 1/20 0.47
MAPK14 Q16539 1/20 0.44
CYP1A2 P05177 5/20 0.43
NR4A2 P43354 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP2C19 P33261 1/20 0.43
CLK4 Q9HAZ1 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
NPY5R Q15761 2/20 0.42
SCN9A Q15858 1/20 0.42
MERTK Q12866 1/20 0.42
ACKR3 P25106 1/20 0.41
ADRA2A P08913 2/20 0.41
MCHR1 Q99705 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL13015070 0.89 CYP1A2 (0.52) CHEK2CHEK1CYP1A2CYP2C19CLK4
Hydrochloric Acid SCHEMBL3777598 0.87 CYP1A2 (0.51) CHEK2CHEK1CYP1A2CYP2C19CLK4
SCHEMBL5803691 0.84 CHEK1 (0.45) CHEK2CHEK1MAPK14ACKR3
SCHEMBL5786413 0.84 CHEK1 (0.45) CHEK2CHEK1MAPK14ACKR3
SCHEMBL5787710 0.84 CHEK1 (0.45) CHEK2CHEK1MAPK14ACKR3
SCHEMBL5788193 0.83 CYP1A2 (0.49) CHEK2CHEK1CYP1A2CYP2C19CLK4
SCHEMBL5788660 0.82 CHEK2 (0.54) CHEK2CHEK1CYP1A2CYP2C19CLK4
SCHEMBL5788662 0.82 CHEK2 (0.54) CHEK2CHEK1CYP1A2CYP2C19CLK4
SCHEMBL5787545 0.81 CYP1A2 (0.47) CHEK2CYP1A2NR4A2KCNH2CYP2C19
Hydrochloric Acid SCHEMBL5786634 0.81 CHEK2 (0.53) CHEK2CHEK1CYP1A2CYP2C19CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP claimed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO claimed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 US claimed
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP disclosed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO disclosed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 US 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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 CHEK2 4060/4885CHEK1 4173/4885MAPK14 2702/4885

“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.