SCHEMBL6853976

SCHEMBL6853976

O=CCc1ccc(-c2ncccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.59
CLK4 Q9HAZ1 1/20 0.44
AOC3 Q16853 2/20 0.38
CYP2A6 P11509 1/20 0.38
SLC6A7 Q99884 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 2/20 0.35
HDAC4 P56524 1/20 0.35
TERT O14746 1/20 0.34
AVPR2 P30518 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
POLB P06746 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MPI P34949 1/20 0.33
KMT2A Q03164 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
SCHEMBL6228427 0.83 ADRB2 (0.50) ADRB2CLK4AOC3CYP2A6SLC6A7
SCHEMBL6269375 0.82 ADRB2 (0.53) ADRB2CLK4AOC3CYP2A6SLC6A7
SCHEMBL10590683 0.82 ADRB2 (0.57) ADRB2CLK4AOC3CYP2A6ALDH1A1
SCHEMBL27612797 0.79 ADRB2 (0.53) ADRB2CLK4AOC3CYP2A6ALDH1A1
SCHEMBL6851863 0.79 HDAC4 (0.40) ADRB2ALDH1A1CYP3A4HDAC4KMT2A
SCHEMBL27613062 0.79 ADRB2 (0.53) ADRB2CLK4AOC3CYP2A6SLC6A7
SCHEMBL6850763 0.79 CLK4 (0.44) ADRB2CLK4CYP2A6HCRTR1HCRTR2
SCHEMBL933590 0.79 CYP1A2 (0.47) CYP2A6SLC6A7ALDH1A1POLB
SCHEMBL3126647 0.78 ADRB2 (0.63) ADRB2CLK4AOC3CYP2A6CYP3A4
SCHEMBL6854269 0.78 ADRB2 (0.49) ADRB2CLK4AOC3CYP2A6ALDH1A1

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
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 ADRB2 4390/4885CLK4 3870/4885AOC3 1365/4885

“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.