SCHEMBL411159

SCHEMBL411159

O=C1O[C@@H](COP(=O)(O)O)CN1c1ccc(-c2ccc(N3CCNC3=O)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.39
GRM2 Q14416 5/20 0.39
GRM5 P41594 3/20 0.38
CALML3 P27482 3/20 0.38
MAOA P21397 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOB P27338 1/20 0.36
F10 P00742 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
SCHEMBL412829 0.90 CALML3 (0.53) CALML3MAOACYP2C9CYP2C19MAOB
SCHEMBL412640 0.90 TDO2 (0.43) TDO2CALML3MAOACYP2C9CYP2C19
SCHEMBL412724 0.86 CALML3 (0.50) TDO2CALML3MAOACYP2C9CYP2C19
SCHEMBL411600 0.86 F10 (0.44) GRM2GRM5MAOAMAOBF10
SCHEMBL412061 0.85 F10 (0.45) GRM2GRM5MAOAMAOBF10
SCHEMBL412641 0.85 GRM5 (0.42) GRM2GRM5CALML3MAOAMAOB
SCHEMBL412646 0.85 TDO2 (0.42) TDO2GRM5CALML3MAOACYP2C9
SCHEMBL411602 0.84 F10 (0.38) GRM2GRM5CALML3MAOACYP2C9
SCHEMBL411610 0.83 GRM2 (0.37) GRM2GRM5CALML3CYP2C9CYP2C19
SCHEMBL469913 0.82 CALML3 (0.44) TDO2CALML3MAOACYP2C9CYP2C19

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 TDO2 183/4885GRM2 4861/4885GRM5 4129/4885

“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.