SCHEMBL5789600

SCHEMBL5789600

NCC1CCN(c2nc(-c3cccc(F)c3F)c3ccccc3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.43
PIM1 P11309 4/20 0.43
MAOB P27338 1/20 0.41
HTR6 P50406 1/20 0.41
ADORA2A P29274 1/20 0.41
PTPN11 Q06124 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SCN9A Q15858 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
PIK3CB P42338 1/20 0.38
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HIF1A Q16665 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL5788681 0.94 L3MBTL1 (0.44) PIM1ADORA2APTPN11L3MBTL1ALDH1A1
SCHEMBL5790589 0.92 ADORA2A (0.49) BPTFPIM1MAOBHTR6ADORA2A
SCHEMBL5786609 0.92 ADORA2A (0.49) BPTFPIM1MAOBHTR6ADORA2A
Hydrochloric Acid SCHEMBL5785982 0.91 ADORA2A (0.48) BPTFPIM1MAOBHTR6ADORA2A
Hydrochloric Acid SCHEMBL5785980 0.91 ADORA2A (0.48) BPTFPIM1MAOBHTR6ADORA2A
SCHEMBL5823225 0.89 BPTF (0.46) BPTFPIM1MAOBHTR6PTPN11
SCHEMBL6330871 0.86 ADORA2A (0.43) PIM1ADORA2AL3MBTL1ALDH1A1KDM4E
SCHEMBL6335744 0.86 ADORA2A (0.43) PIM1ADORA2AL3MBTL1ALDH1A1KDM4E
SCHEMBL5813840 0.84 BPTF (0.47) BPTFPIM1MAOBHTR6ADORA2A
SCHEMBL5785657 0.84 L3MBTL1 (0.42) ADORA2AL3MBTL1ALDH1A1KDM4ESCN9A

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 BPTF 3841/4885PIM1 4198/4885MAOB 57/4885

“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.