SCHEMBL7103483

SCHEMBL7103483

NCC1CC(c2ccc(-c3ncccn3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.49
MAOA P21397 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
TNK2 Q07912 3/20 0.38
CLK4 Q9HAZ1 1/20 0.37
AOC3 Q16853 2/20 0.36
HDAC4 P56524 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
IGF1R P08069 1/20 0.32
CYP2A6 P11509 1/20 0.32
HTR2C P28335 1/20 0.31
DKK1 O94907 1/20 0.31

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
SCHEMBL7148291 0.81 MAOA (0.47) ADRB2MAOAHRH3CLK4AOC3
SCHEMBL7108930 0.77 MAOA (0.43) ADRB2MAOATNK2CLK4AOC3
SCHEMBL7109799 0.77 MAOA (0.40) ADRB2MAOAHRH3CLK4HDAC4
SCHEMBL7209332 0.77 CLK4 (0.44) ADRB2MAOAHRH3TNK2CLK4
SCHEMBL2688883 0.74 MAOB (0.52) MAOAKDM1AMAOBCYP2A6HTR2C
SCHEMBL10177758 0.74 MAOB (0.52) MAOAKDM1AMAOBCYP2A6HTR2C
SCHEMBL10177780 0.74 MAOB (0.52) MAOAKDM1AMAOBCYP2A6HTR2C
SCHEMBL7107690 0.73 MAOA (0.38) ADRB2MAOAHRH3CLK4HDAC4
SCHEMBL7209014 0.73 CLK4 (0.42) ADRB2MAOACLK4AOC3HDAC4
SCHEMBL10177774 0.71 HTR2C (0.53) ADRB2KDM1AHTR2C

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 ADRB2 4789/4885MAOA 4332/4885HRH3 3589/4885

“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.