SCHEMBL463591

SCHEMBL463591

COC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCN(C)C4=O)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.49
MAOB P27338 3/20 0.49
CALML3 P27482 5/20 0.49
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
SDHA P31040 1/20 0.46

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
SCHEMBL463740 0.88 CALML3 (0.51) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL463725 0.88 MAOA (0.50) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL412157 0.88 CALML3 (0.63) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL463272 0.88 F10 (0.53) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL463557 0.88 MAOA (0.49) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL463256 0.87 F10 (0.38) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL4168134 0.87 MAOA (0.58) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL4168138 0.87 MAOA (0.58) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL463274 0.86 MAOA (0.48) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL4168449 0.86 MAOA (0.53) MAOAMAOBCALML3CYP2C19CYP3A4

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-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
WO-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 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-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections NISCH, SI, VIP MAOA 853/4885MAOB 427/4885CALML3 1652/4885

“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.