SCHEMBL412177

SCHEMBL412177

O=C1CCCN1c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)c(F)c2F)cn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
MAOA P21397 3/20 0.45
MAOB P27338 2/20 0.45
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CALML3 P27482 6/20 0.43
CYP3A4 P08684 1/20 0.42
F10 P00742 4/20 0.41
PARP1 P09874 1/20 0.39
MTOR P42345 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL463248 0.86 F10 (0.46) CNR2MAOAMAOBCALML3F10
SCHEMBL412047 0.86 CYP2C19 (0.44) CNR2MAOAMAOBCYP2C19CYP2C9
SCHEMBL412771 0.86 CNR2 (0.39) CNR2MAOAMAOBCYP2C19CYP2C9
SCHEMBL412683 0.86 MAOA (0.44) CNR2MAOAMAOBCYP2C19CYP2C9
SCHEMBL463752 0.85 CYP2E1 (0.52) CNR2MAOAMAOBCYP2C19CYP2C9
SCHEMBL412056 0.85 CALML3 (0.43) MAOAMAOBCYP2C19CYP2C9CALML3
SCHEMBL412753 0.85 CALML3 (0.48) MAOAMAOBCYP2C19CYP2C9CALML3
SCHEMBL411136 0.84 CALML3 (0.64) MAOAMAOBCYP2C19CYP2C9CALML3
SCHEMBL412048 0.84 MAOA (0.44) MAOAMAOBCYP2C19CYP2C9CALML3
SCHEMBL411145 0.82 F10 (0.48) CNR2MAOAMAOBCYP2C19CYP2C9

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 CNR2 778/4885MAOA 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.