SCHEMBL412083

SCHEMBL412083

O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c(-c2ccc(N3CCNC3=O)nc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.40
CALML3 P27482 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOA P21397 14/20 0.38
MAOB P27338 2/20 0.38
GRM2 Q14416 2/20 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
SCHEMBL412657 0.91 CALML3 (0.51) CALML3CYP2C9CYP2C19MAOAMAOB
SCHEMBL412775 0.91 CYP2E1 (0.40) TDO2CALML3CYP2C9CYP2C19MAOA
SCHEMBL411619 0.90 GRM2 (0.40) TDO2CALML3GRM2
SCHEMBL412082 0.89 MAOA (0.39) CALML3CYP2C9CYP2C19MAOAMAOB
SCHEMBL412768 0.89 CYP2C19 (0.39) CALML3CYP2C9CYP2C19MAOAMAOB
SCHEMBL411080 0.85 TDO2 (0.40) TDO2CALML3CYP2C9CYP2C19MAOA
SCHEMBL463748 0.85 MAOA (0.53) TDO2CALML3CYP2C9CYP2C19MAOA
SCHEMBL412818 0.84 CALML3 (0.54) TDO2CALML3CYP2C9CYP2C19MAOA
SCHEMBL412640 0.83 TDO2 (0.43) TDO2CALML3CYP2C9CYP2C19MAOA
SCHEMBL411618 0.80 CALML3 (0.49) CALML3CYP2C9CYP2C19MAOAMAOB

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 TDO2 183/4885CALML3 1652/4885CYP2C9 91/4885

“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.