SCHEMBL411136

SCHEMBL411136

O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(N3CCCC3=O)nc2)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.64
MAOA P21397 10/20 0.63
MAOB P27338 2/20 0.63
CYP2C19 P33261 2/20 0.62
CYP2C9 P11712 1/20 0.62
CYP3A4 P08684 1/20 0.59
F10 P00742 1/20 0.48

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
SCHEMBL411592 0.90 CYP2C19 (0.52) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL411061 0.88 MAOA (0.51) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL411145 0.87 F10 (0.48) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL463272 0.87 F10 (0.53) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL412767 0.86 MAOA (0.49) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL411101 0.86 CALML3 (0.66) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL411595 0.86 CALML3 (0.68) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL463295 0.85 MAOA (0.60) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL411141 0.85 CALML3 (0.64) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL412157 0.84 CALML3 (0.63) CALML3MAOAMAOBCYP2C19CYP2C9

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 3 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
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 CALML3 1652/4885MAOA 853/4885MAOB 427/4885

“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.