SCHEMBL7209332

SCHEMBL7209332

CC1CC(c2ccc(-c3ncccn3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.44
MAOA P21397 1/20 0.40
ADRB2 P07550 2/20 0.40
HDAC4 P56524 3/20 0.39
KDM1A O60341 2/20 0.35
MAOB P27338 1/20 0.35
CYP2A6 P11509 1/20 0.34
TNK2 Q07912 1/20 0.34
TP53 P04637 1/20 0.33
DYRK1A Q13627 1/20 0.33
ESR2 Q92731 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
S1PR1 P21453 1/20 0.32
HTR2B P41595 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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) CLK4MAOAADRB2HDAC4KDM1A
SCHEMBL7148291 0.81 MAOA (0.47) CLK4MAOAADRB2HDAC4KDM1A
SCHEMBL7109799 0.81 MAOA (0.40) CLK4MAOAADRB2HDAC4KDM1A
SCHEMBL7103483 0.77 ADRB2 (0.49) CLK4MAOAADRB2HDAC4KDM1A
SCHEMBL7107690 0.77 MAOA (0.38) CLK4MAOAADRB2HDAC4KDM1A
SCHEMBL7209014 0.77 CLK4 (0.42) CLK4MAOAADRB2HDAC4KDM1A
SCHEMBL7109624 0.74 GAA (0.46) CLK4MAOAADRB2HDAC4KDM1A
SCHEMBL1200615 0.73 SLC18A3 (0.55)
SCHEMBL6685962 0.72 CLK4 (0.64) CLK4ADRB2HDAC4CYP2A6TP53
SCHEMBL8260386 0.71 GAA (0.40) TP53ESR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CLK4 3703/4885MAOA 4332/4885ADRB2 4789/4885

“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.