SCHEMBL412771

SCHEMBL412771

O=C1CCCN1c1ccc(-c2ccc(N3C[C@H](COc4ccon4)OC3=O)c(F)c2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
F10 P00742 4/20 0.36
CYP2E1 P05181 1/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
GRM5 P41594 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
GPR84 Q9NQS5 3/20 0.34
PARP1 P09874 1/20 0.33
CYP3A4 P08684 1/20 0.32
CALML3 P27482 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL412857 0.88 GRM5 (0.35) CNR2F10CYP2E1MAOAMAOB
SCHEMBL412774 0.88 CYP2E1 (0.41) CNR2F10CYP2E1MAOAMAOB
SCHEMBL411080 0.88 TDO2 (0.40) CYP2E1MAOAMAOBGRM5CYP2C19
SCHEMBL412767 0.87 MAOA (0.49) MAOAMAOBCYP2C19CYP2C9CYP3A4
SCHEMBL412177 0.86 CNR2 (0.45) CNR2F10MAOAMAOBCYP2C19
SCHEMBL463752 0.85 CYP2E1 (0.52) CNR2F10CYP2E1MAOAMAOB
SCHEMBL412766 0.84 F10 (0.40) CNR2F10GRM5PARP1
SCHEMBL412768 0.83 CYP2C19 (0.39) CNR2F10MAOAMAOBGRM5
SCHEMBL463248 0.80 F10 (0.46) CNR2F10MAOAMAOBCALML3
SCHEMBL411622 0.76 CYP2E1 (0.40) CYP2E1MAOAMAOBGRM5CYP2C19

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 778/4885F10 3187/4885CYP2E1 352/4885

“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.