SCHEMBL9930149

SCHEMBL9930149

COC1CN(c2ccc3c(c2)C[C@H]2[C@H](CNC(C)=O)OC(=O)N32)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.45
MAOB P27338 3/20 0.45
CYP2C19 P33261 1/20 0.45
F10 P00742 15/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42

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
SCHEMBL14069411 1.00 MAOA (0.45) MAOAMAOBCYP2C19F10KCNH2
SCHEMBL9964801 0.89 MAOA (0.48) MAOAMAOBCYP2C19F10KCNH2
SCHEMBL14069408 0.89 MAOA (0.48) MAOAMAOBCYP2C19F10KCNH2
SCHEMBL14069412 0.85 F10 (0.40) MAOAMAOBCYP2C19F10KCNH2
SCHEMBL9968730 0.84 MAOA (0.57) MAOAMAOBCYP2C19F10KCNH2
SCHEMBL14069610 0.84 F10 (0.40) MAOAMAOBCYP2C19F10KCNH2
SCHEMBL9968728 0.84 F10 (0.40) MAOAMAOBCYP2C19F10KCNH2
SCHEMBL9964910 0.83 KCNH2 (0.53) MAOAMAOBCYP2C19F10KCNH2
SCHEMBL9929666 0.82 F10 (0.45) MAOAMAOBCYP2C19F10KCNH2
SCHEMBL14069777 0.82 F10 (0.45) MAOAMAOBCYP2C19F10KCNH2

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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 MAOA 1058/4885MAOB 761/4885CYP2C19 47/4885

“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.