SCHEMBL6329201

SCHEMBL6329201

NCCCNc1nc(-c2cccc(F)c2F)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ SCN9A Q15858 4/20 0.43
▸ NPY5R Q15761 4/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ APP P05067 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ CASP6 P55212 1/20 0.38

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
SCHEMBL6328906 0.82 SCN9A (0.47) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL11734758 0.74 CASP6 (0.62) KDM4EALDH1A1NPY5RNPY1RAPP
SCHEMBL6336337 0.74 SCN9A (0.48) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL6330986 0.72 ALDH1A1 (0.73) GAAKDM4EALDH1A1GLAHPGD
Hydrochloric Acid SCHEMBL6336714 0.71 KDM4E (0.71) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL5788193 0.71 CYP1A2 (0.49) KDM4EALDH1A1ADORA2ANPY5RMAPT
SCHEMBL8893524 0.70 NPY5R (0.70) NPY5RNPY1RAPPAGTR1AGTR2
SCHEMBL6039582 0.70 NPY5R (0.70) NPY5RNPY1RAPPAGTR1AGTR2
SCHEMBL8892545 0.70 NPY5R (0.70) NPY5RNPY1RAPPAGTR1AGTR2
SCHEMBL8892633 0.69 RAD52 (0.76) KDM4EALDH1A1APPMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 — — US claimed
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 GAA 2064/4885KDM4E 1392/4885ALDH1A1 730/4885

“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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