SCHEMBL5791531

SCHEMBL5791531

NCC1CCN(c2nc(-c3c(F)cccc3F)c3ccccc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 4/20 0.47
LMNA P02545 1/20 0.47
PIK3CB P42338 1/20 0.46
SCN9A Q15858 4/20 0.46
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR2A P28223 3/20 0.41
GLA P06280 3/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 2/20 0.41
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
DKK1 O94907 1/20 0.41

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
SCHEMBL5823225 0.93 BPTF (0.46) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL5788681 0.89 L3MBTL1 (0.44) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL6329602 0.83 SCN9A (0.47) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL5786609 0.82 ADORA2A (0.49) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL5790589 0.82 ADORA2A (0.49) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL5789600 0.82 BPTF (0.43) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL6330939 0.81 L3MBTL1 (0.46) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL6337199 0.81 L3MBTL1 (0.46) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL6337475 0.81 L3MBTL1 (0.46) ALDH1A1L3MBTL1KDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL5785980 0.81 ADORA2A (0.48) ALDH1A1L3MBTL1KDM4EHPGDLMNA

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 ALDH1A1 730/4885L3MBTL1 2817/4885KDM4E 1392/4885

“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.