SCHEMBL6775466

SCHEMBL6775466

C=CCN(CC)c1ccc(CN(C(C)=O)C(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.46
CNR1 P21554 3/20 0.46
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.34
ALOX5 P09917 1/20 0.34
LSS P48449 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6770651 0.95 CNR2 (0.42) CNR2CNR1NPY1RNPY2RALDH1A1
SCHEMBL6770865 0.84 CNR2 (0.40) CNR2CNR1NPY1RNPY2RALDH1A1
SCHEMBL6774233 0.82 MAPT (0.39) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL6777234 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL6782412 0.76 LMNA (0.45) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL27475763 0.76 L3MBTL1 (0.60) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL11600743 0.75 MAPT (0.48) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL6781095 0.75 ALDH1A1 (0.42) NPY1RNPY2RALDH1A1L3MBTL1LMNA
SCHEMBL7720050 0.75 ALDH1A1 (0.35) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL6774973 0.74 RAB9A (0.43) ALDH1A1L3MBTL1LMNAPOLBHSD17B10

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 4 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-6384014-B1 ANTIBIOTICS AS BACTERICIDES AVENTIS PHARMA S.A. (FR) 2002-05-07 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 CNR2 4806/4885CNR1 4831/4885NPY1R 4097/4885

“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.