SCHEMBL4482763

SCHEMBL4482763

COC(=O)CN1C2CC(OC3CCCCO3)CC1CC(C(=O)OC)C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL14441116 0.91 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8849456 0.84 MEN1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL24290062 0.83 CHRNB2 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL5652672 0.82 MEN1 (0.34) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL14446813 0.76 TP53 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL8849464 0.76 MEN1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL11607376 0.75 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL732890 0.75 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL1162010 0.75 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL11942479 0.75 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608714-B2 Production of dolasetron TEVA Gyógyszergyár Zártkörúen Müködö Részvénytársaság (HU) 2009-10-27 US claimed
WO-2007081889-A9 PRODUCTION OF DOLASETRON TEVA GYOGYSZERGYAR ZARTKORUEN (HU) 2007-09-20 WO claimed
US-20070203219-A1 Production of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US claimed
US-7608714-B2 Production of dolasetron TEVA Gyógyszergyár Zártkörúen Müködö Részvénytársaság (HU) 2009-10-27 US disclosed
US-7608714-B2 Production of dolasetron TEVA Gyógyszergyár Zártkörúen Müködö Részvénytársaság (HU) 2009-10-27 US disclosed
EP-1874767-A2 PRODUCTION OF DOLASETRON Teva Gyogyszergyár Zártköruen Muködo Részvenytarsaság (HU) 2008-01-09 EP disclosed
WO-2007081889-A9 PRODUCTION OF DOLASETRON TEVA GYOGYSZERGYAR ZARTKORUEN (HU) 2007-09-20 WO disclosed
US-20070203219-A1 Production of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
US-20070203219-A1 Production of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
US-20070203219-A1 Production of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
WO-2007081889-A2 PRODUCTION OF DOLASETRON TEVA GYÓGYSZERGYÁR ZÁRTKÖRÜEN MÜKÖDÖ RÉSZVÉNYTÁRSASÁG (HU) 2007-07-19 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 (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-20070203219-A1 Production of dolasetron DDOST, DAD1, DHPS ALDH1A1 2955/4885CYP3A4 31/4885SMN1; SMN2 3702/4885

“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.