SCHEMBL16969504

SCHEMBL16969504

O=C(Nc1ccc(N2CCC3(CC2)CC3C(=O)O)nc1)c1nnc(Nc2ccc(F)c(F)c2)o1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.81
ACAT1 P24752 2/20 0.81
SOAT1 P35610 2/20 0.57

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
SCHEMBL16969528 0.92 DGAT1 (0.71) DGAT1ACAT1SOAT1
SCHEMBL16969288 0.91 DGAT1 (0.72) DGAT1ACAT1SOAT1
SCHEMBL15639101 0.89 DGAT1 (1.00) DGAT1ACAT1SOAT1
SCHEMBL16969286 0.89 DGAT1 (0.70) DGAT1ACAT1SOAT1
SCHEMBL15638508 0.89 DGAT1 (0.72) DGAT1ACAT1
SCHEMBL15638501 0.88 DGAT1 (0.63) DGAT1ACAT1SOAT1
SCHEMBL16969451 0.88 DGAT1 (0.68) DGAT1ACAT1SOAT1
SCHEMBL16969302 0.88 DGAT1 (0.85) DGAT1ACAT1SOAT1
SCHEMBL15639118 0.88 DGAT1 (0.85) DGAT1ACAT1SOAT1
SCHEMBL18400790 0.88 DGAT1 (0.65) DGAT1ACAT1SOAT1

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
US-9550793-B2 Spirocyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-01-24 US claimed
EP-2903985-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF Advinus Therapeutics Limited (IN) 2015-08-12 EP claimed
US-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2015-08-06 US claimed
US-9550793-B2 Spirocyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-01-24 US disclosed
US-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2015-08-06 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-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DGAT1, DGAT2, CPT1A DGAT1 1/4885ACAT1 8/4885SOAT1 7/4885

“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.