SCHEMBL7148291

SCHEMBL7148291

NC1CC(c2ccc(-c3ncccn3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
ADRB2 P07550 1/20 0.44
KDM1A O60341 8/20 0.41
MAOB P27338 4/20 0.41
CLK4 Q9HAZ1 1/20 0.40
HDAC4 P56524 2/20 0.39
CYP2A6 P11509 1/20 0.34
AOC3 Q16853 2/20 0.33
PIK3CD O00329 1/20 0.33
PIP5K1C O60331 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
S1PR1 P21453 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
SCHEMBL7108930 0.81 MAOA (0.43) MAOAADRB2KDM1AMAOBCLK4
SCHEMBL7209332 0.81 CLK4 (0.44) MAOAADRB2KDM1AMAOBCLK4
SCHEMBL7109799 0.81 MAOA (0.40) MAOAADRB2KDM1AMAOBCLK4
SCHEMBL7103483 0.81 ADRB2 (0.49) MAOAADRB2KDM1AMAOBCLK4
SCHEMBL7109624 0.78 GAA (0.46) MAOAADRB2KDM1AMAOBCLK4
SCHEMBL7107690 0.77 MAOA (0.38) MAOAADRB2KDM1AMAOBCLK4
SCHEMBL7209014 0.77 CLK4 (0.42) MAOAADRB2KDM1AMAOBCLK4
SCHEMBL1200615 0.73 SLC18A3 (0.55)
SCHEMBL6685962 0.72 CLK4 (0.64) ADRB2CLK4HDAC4CYP2A6AOC3
SCHEMBL26633816 0.71 OPRM1 (0.38) CYP2A6

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
EP-1343798-A1 6-O-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-17 EP disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 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-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E MAOA 4332/4885ADRB2 4789/4885KDM1A 32/4885

“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.