SCHEMBL5786728

SCHEMBL5786728

NC1CCN(c2nc(-c3ccccc3)c3ccccc3n2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ KDM4E B2RXH2 5/20 0.65
▸ L3MBTL1 Q9Y468 3/20 0.65
▸ HPGD P15428 4/20 0.63
▸ LMNA P02545 1/20 0.63
▸ ATM Q13315 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SCN9A Q15858 2/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CKS1B P61024 1/20 0.49
▸ SKP1 P63208 1/20 0.49
▸ SKP2 Q13309 1/20 0.49

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
Hydrochloric Acid SCHEMBL6337335 0.99 ALDH1A1 (0.63) ALDH1A1KDM4EL3MBTL1HPGDLMNA
Hydrochloric Acid SCHEMBL5789123 0.99 ALDH1A1 (0.63) ALDH1A1KDM4EL3MBTL1HPGDLMNA
Hydrochloric Acid SCHEMBL6330957 0.99 ALDH1A1 (0.63) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL6328896 0.92 KDM4E (0.73) ALDH1A1KDM4EL3MBTL1HPGDLMNA
Hydrochloric Acid SCHEMBL5785993 0.90 KDM4E (0.71) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL6330939 0.84 L3MBTL1 (0.46) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL6337475 0.84 L3MBTL1 (0.46) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL6337199 0.84 L3MBTL1 (0.46) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL6331657 0.83 ADORA2A (0.52) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL5788569 0.83 ADORA2A (0.52) ALDH1A1KDM4EL3MBTL1HPGDLMNA

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 730/4885KDM4E 1392/4885L3MBTL1 2817/4885

“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.

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