SCHEMBL412794

SCHEMBL412794

CC[C@H]1CN(c2ccc(-c3ccc(N4CCNC4=O)nc3)c(F)c2F)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.46
CALML3 P27482 4/20 0.40
MAOA P21397 11/20 0.39
MAOB P27338 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
GRM2 Q14416 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL412753 0.93 CALML3 (0.48) TDO2CALML3MAOAMAOBCYP2C19
SCHEMBL463249 0.87 TDO2 (0.41) TDO2CALML3MAOAMAOB
SCHEMBL412646 0.86 TDO2 (0.42) TDO2CALML3MAOAMAOBCYP2C19
SCHEMBL412968 0.85 MAOA (0.37) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL411080 0.84 TDO2 (0.40) TDO2CALML3MAOAMAOBCYP2C19
SCHEMBL463337 0.84 CYP2E1 (0.52) TDO2CALML3MAOAMAOBCYP2C19
SCHEMBL412820 0.80 TDO2 (0.46) TDO2CALML3MAOAMAOBCYP2C19
SCHEMBL412048 0.79 MAOA (0.44) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL10068629 0.79 TDO2 (0.41) TDO2CALML3MAOAMAOBCYP2C19
SCHEMBL412683 0.79 MAOA (0.44) CALML3MAOAMAOBCYP2C19CYP2C9

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 1 patent. 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

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 1652/4885MAOA 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.