SCHEMBL412791

SCHEMBL412791

O=C1OCCN1c1ccc(-c2ccc(N3C[C@H](COP(=O)(O)O)OC3=O)c(F)c2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.36
F10 P00742 1/20 0.36
MAOA P21397 6/20 0.35
MAOB P27338 2/20 0.35
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
CALML3 P27482 4/20 0.34
EED O75530 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
CNR2 P34972 1/20 0.33
CYP3A4 P08684 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
SCHEMBL412833 0.88 MAOA (0.36) GRM5F10MAOAMAOBCYP2C19
SCHEMBL412683 0.88 MAOA (0.44) F10MAOAMAOBCYP2C19CYP2C9
SCHEMBL412646 0.88 TDO2 (0.42) GRM5MAOAMAOBCYP2C19CYP2C9
SCHEMBL412834 0.86 GRM5 (0.37) GRM5F10MAOAMAOBCYP2C19
SCHEMBL411105 0.86 CALML3 (0.51) MAOAMAOBCYP2C19CYP2C9CALML3
SCHEMBL412857 0.85 GRM5 (0.35) GRM5F10MAOAMAOBCYP2C19
SCHEMBL411600 0.84 F10 (0.44) GRM5F10MAOAMAOB
SCHEMBL412057 0.83 MAOA (0.42) F10MAOAMAOBCYP2C19CYP2C9
SCHEMBL463353 0.82 F10 (0.44) F10MAOAMAOBCALML3
SCHEMBL10068629 0.80 TDO2 (0.41) GRM5MAOAMAOBCYP2C19CYP2C9

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 GRM5 4129/4885F10 3187/4885MAOA 853/4885

“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.