SCHEMBL411619

SCHEMBL411619

O=C1O[C@@H](COc2ccon2)CN1c1ccc(-c2ccc(N3CCNC3=O)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.40
GRM5 P41594 3/20 0.37
TDO2 P48775 1/20 0.36
CALML3 P27482 2/20 0.35

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
SCHEMBL412083 0.90 TDO2 (0.40) GRM2TDO2CALML3
SCHEMBL412657 0.89 CALML3 (0.51) CALML3
SCHEMBL411075 0.87 GRM2 (0.41) GRM2GRM5
SCHEMBL412766 0.86 F10 (0.40) GRM2GRM5
SCHEMBL411080 0.84 TDO2 (0.40) GRM5TDO2CALML3
SCHEMBL412775 0.84 CYP2E1 (0.40) GRM2GRM5TDO2CALML3
SCHEMBL463709 0.83 MAOA (0.49) TDO2CALML3
SCHEMBL412724 0.83 CALML3 (0.50) TDO2CALML3
SCHEMBL411159 0.82 TDO2 (0.39) GRM2GRM5TDO2CALML3
SCHEMBL5532269 0.80 GRM2 (0.41) GRM2

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 2 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

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

“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.