SCHEMBL5801598

SCHEMBL5801598

NCC(N)c1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.54
▸ NUDT1 P36639 3/20 0.54
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ATM Q13315 1/20 0.47
▸ RAD52 P43351 1/20 0.46
▸ GLA P06280 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43

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 SCHEMBL5805884 0.98 ADORA2A (0.53) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL20152506 0.77 ADORA2A (0.55) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL5785783 0.76 ADORA2A (0.45) ADORA2AGLASCN9A
SCHEMBL20152504 0.75 ADORA2A (0.51) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL18285289 0.74 ADORA2A (0.59) ADORA2ANUDT1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3299437 0.72 RAB9A (0.50) NUDT1MAPTKMT2AGAAALDH1A1
SCHEMBL421987 0.71 ADORA2A (1.00) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL3867555 0.70 KDM4E (0.54) MAPTKMT2AGAAALDH1A1KDM4E
SCHEMBL9920500 0.70 MEN1 (0.70) ADORA2ANUDT1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL27344186 0.69 ADORA2A (0.96) ADORA2ANUDT1MAPTMEN1KMT2A

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 5 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
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 ADORA2A 138/4885NUDT1 3333/4885MAPT 192/4885

“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.

Send feedback