SCHEMBL13089938

SCHEMBL13089938

CC(C)[C@@H](N)C(=O)OCC1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 13/20 0.57
MAOB P27338 1/20 0.57
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 1/20 0.47
CALML3 P27482 5/20 0.45

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
SCHEMBL18546082 1.00 MAOA (0.57) MAOAMAOBCYP3A4CYP2C19CALML3
SCHEMBL1984705 1.00 MAOA (0.57) MAOAMAOBCYP3A4CYP2C19CALML3
Hydrochloric Acid SCHEMBL1382270 0.99 MAOA (0.56) MAOAMAOBCYP3A4CYP2C19CALML3
Trifluoroacetic Acid SCHEMBL1380365 0.96 MAOA (0.53) MAOAMAOBCYP3A4CYP2C19CALML3
SCHEMBL13089937 0.94 MAOA (0.58) MAOAMAOBCYP3A4CYP2C19CALML3
SCHEMBL12605125 0.94 MAOA (0.58) MAOAMAOBCYP3A4CYP2C19CALML3
Hydrochloric Acid SCHEMBL1382355 0.94 MAOA (0.57) MAOAMAOBCYP3A4CYP2C19CALML3
Trifluoroacetic Acid SCHEMBL1384535 0.90 MAOA (0.54) MAOAMAOBCYP3A4CYP2C19CALML3
SCHEMBL1985755 0.89 MAOA (0.59) MAOAMAOBCYP3A4CYP2C19CALML3
SCHEMBL23311430 0.89 MAOA (0.74) MAOAMAOBCYP3A4CYP2C19CALML3

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-7816379-B2 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. (KR) 2010-10-19 US disclosed
US-7816379-B2 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. (KR) 2010-10-19 US disclosed
US-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. 2007-07-05 US disclosed
US-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. 2007-07-05 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-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate ALPI, SI, TST MAOA 4398/4885MAOB 4248/4885CYP3A4 68/4885

“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.