SCHEMBL5651104

SCHEMBL5651104

COC(=O)C(CN1CCOCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.53
OPRK1 P41145 3/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HRH1 P35367 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
CTSK P43235 4/20 0.49
CTSL P07711 2/20 0.49
CYP3A4 P08684 2/20 0.49
CNR2 P34972 1/20 0.48
GAA P10253 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL5967157 0.91 HRH1 (0.59) OPRK1KMT2AMEN1NPSR1HRH1
SCHEMBL17444420 0.87 SIRT2 (0.58) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL17444419 0.87 SIRT2 (0.58) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL14069202 0.82 CTRB1 (0.60) OPRK1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL7398976 0.82 CTRB1 (0.60) OPRK1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL7398974 0.82 CTRB1 (0.60) OPRK1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL17444427 0.82 ITGB3 (0.58) KYNUALDH1A1ALOX15KMT2AMEN1
SCHEMBL17444429 0.82 ITGB3 (0.58) KYNUALDH1A1ALOX15KMT2AMEN1
SCHEMBL27122575 0.81 ITGB3 (0.55) ALDH1A1KMT2AMEN1NPSR1HRH1
SCHEMBL27273354 0.81 SIRT2 (0.54) ALDH1A1KMT2AMEN1NPSR1HRH1

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-20070203337-A1 USE OF 2-AMINO-THIAZOLINE DERIVATIVES AS INHIBITORS OF INDUCIBLE NO-SYNTHASE AVENTIS PHARMA S.A. (FR) 2007-08-30 US claimed
EP-1446393-B1 2-AMINO-THIAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF INDUCIBLE NO-SYNTHASE AVENTIS PHARMA SA (FR) 2006-03-08 EP claimed
US-20050288501-A1 Use of 2-amino-thiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2005-12-29 US claimed
EP-1446393-A1 2-AMINO-THIAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF INDUCIBLE NO-SYNTHASE Aventis Pharma S.A. (FR) 2004-08-18 EP claimed
WO-2003040115-A1 2-AMINO-THIAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF INDUCIBLE NO-SYNTHASE AVENTIS PHARMA S.A. (FR) 2003-05-15 WO claimed

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-20070203337-A1 USE OF 2-AMINO-THIAZOLINE DERIVATIVES AS INHIBITORS OF INDUCIBLE NO-SYNTHASE NOS2, PAH, TH KYNU 784/4885OPRK1 3314/4885ALDH1A1 1923/4885
US-20050288501-A1 Use of 2-amino-thiazoline derivatives as inhibitors of inducible no-synthase NOS2, TH, PAH KYNU 685/4885OPRK1 3082/4885ALDH1A1 1689/4885

“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.