SCHEMBL8239013

SCHEMBL8239013

NC1(c2ccc3c(c2)OCO3)CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.64
SLC6A4 P31645 3/20 0.55
LMNA P02545 1/20 0.47

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
SCHEMBL18769444 0.95 SLC6A3 (0.57) SLC6A3SLC6A4LMNA
Hydrochloric Acid SCHEMBL18742757 0.93 SLC6A3 (0.55) SLC6A3SLC6A4LMNA
SCHEMBL3604519 0.91 SLC6A3 (0.56) SLC6A3SLC6A4LMNA
Hydrochloric Acid SCHEMBL28980512 0.81 SLC6A3 (0.48) SLC6A3SLC6A4LMNA
SCHEMBL613966 0.81 SLC6A3 (0.48) SLC6A3SLC6A4LMNA
SCHEMBL3517809 0.78 SLC6A3 (1.00) SLC6A3SLC6A4LMNA
SCHEMBL8804172 0.76 SLC6A3 (0.57) SLC6A3SLC6A4LMNA
SCHEMBL558007 0.76 SLC6A3 (0.97) SLC6A3SLC6A4LMNA
SCHEMBL8285885 0.75 SLC6A3 (0.62) SLC6A3SLC6A4LMNA
SCHEMBL21937622 0.75 SLC6A3 (0.55) SLC6A3SLC6A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674651-A1 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1995-10-04 EP claimed
WO-1994014833-A2 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1994-07-07 WO claimed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
EP-0674651-B1 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC (US) 1998-10-28 EP disclosed
US-5708001-A TESTOSTERONE-5A-REDUCTASE INHIBITORS GLAXO WELLCOME INC. (US) 1998-01-13 US disclosed
EP-0674651-A1 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1995-10-04 EP disclosed
WO-1994014833-A2 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1994-07-07 WO 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 (2 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-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C SLC6A3 3457/4885SLC6A4 2173/4885LMNA 3934/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A SLC6A3 1318/4885SLC6A4 772/4885LMNA 3728/4885

“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.