SCHEMBL16985182

SCHEMBL16985182

O=C(Nc1ccc(N2CCC3(CC2)CC3C(=O)O)nc1)c1nnc(Nc2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.62
ACAT1 P24752 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
STAT3 P40763 1/20 0.51

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) DGAT1ACAT1
SCHEMBL15638508 0.91 DGAT1 (0.72) DGAT1ACAT1
SCHEMBL16985134 0.89 DGAT1 (0.55) DGAT1ACAT1
SCHEMBL16969482 0.89 DGAT1 (0.62) DGAT1ACAT1MAPT
SCHEMBL15638526 0.88 DGAT1 (0.58) DGAT1ACAT1
SCHEMBL16969504 0.87 DGAT1 (0.81) DGAT1ACAT1
SCHEMBL3541638 0.87 DGAT1 (0.61) DGAT1ACAT1SMN1; SMN2MAPTSTAT3
SCHEMBL3540750 0.86 DGAT1 (0.63) DGAT1ACAT1SMN1; SMN2MAPTSTAT3
SCHEMBL3538090 0.85 DGAT1 (0.59) DGAT1ACAT1SMN1; SMN2MAPTSTAT3
SCHEMBL3545569 0.84 DGAT1 (0.60) DGAT1ACAT1SMN1; SMN2MAPTSTAT3

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-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 8/4885SMN1; SMN2 3347/4885

“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.