SCHEMBL6770926

SCHEMBL6770926

C=CCN(CC=C)c1ccc(CCC(=O)NOC(=O)C(CC)C(=O)OCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
CNR2 P34972 2/20 0.36
AOC3 Q16853 2/20 0.36
CYP4Z1 Q86W10 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CHKA P35790 1/20 0.34
NAMPT P43490 1/20 0.34
CNR1 P21554 1/20 0.33
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP4F11 Q9HBI6 1/20 0.32
CYP4F12 Q9HCS2 1/20 0.32

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
SCHEMBL6771650 0.81 CNR2 (0.45) NPY1RNPY2RCNR2AOC3CYP4Z1
Butane SCHEMBL6770923 0.78 CNR2 (0.38) CNR2AOC3CYP4Z1CHKAMAPK1
SCHEMBL6775475 0.78 CNR2 (0.48) NPY1RNPY2RCNR2AOC3CYP4Z1
SCHEMBL7059653 0.69 CHKA (0.44) CNR2AOC3CHKACNR1
SCHEMBL6770651 0.68 CNR2 (0.42) NPY1RNPY2RCNR2CHKACNR1
SCHEMBL27635938 0.67 MMP8 (0.51) NPY1RNPY2RCNR2CNR1
SCHEMBL1470467 0.66 CA12 (0.53) L3MBTL1
SCHEMBL28125171 0.66 TSHR (0.33) MAPK1L3MBTL1
SCHEMBL10432991 0.65 SMN1; SMN2 (0.45) MAPK1L3MBTL1
SCHEMBL6770867 0.65 CNR2 (0.51) NPY1RNPY2RCNR2AOC3CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833382-B2 By muta-synthesis using a mutated micro-organism to influence the biosynthesis of at least one of the precursors of group B streptogramines; mutant strain employed is preferably derived from the strain S. pristinaespiralis SP92 AVENTIS PHARMA S.A. (FR) 2004-12-21 US disclosed
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS AVENTIS PHARMA, S.A. 2002-10-03 US disclosed
US-6352839-B1 PREPARING VIRGINIAMYCINS FROM AN ENGINEERED MICROORGANISMS, HAVING THE ABILITY TO PREVENT BIOSYNTHESIS OF THE PRECURSOR ANTIBIOTIC; THE MICROORGANISM IS CULTURED IN THE PRESENCE OF A SECOND PRECURSOR AND THE STREPTOGRAMIN ANALOG IS RECOVERED AVENTIS PHARMA S.A. (FR) 2002-03-05 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-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS EMG1, FBL, SMS NPY1R 4097/4885NPY2R 4260/4885CNR2 4806/4885

“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.