SCHEMBL7031366

SCHEMBL7031366

CCC(=O)NC[C@H]1CN(c2ccc(N3CCOC3=O)c(F)c2)CO1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.49
▸ MAOA P21397 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ CALML3 P27482 1/20 0.48
▸ SDHA P31040 1/20 0.48
▸ F10 P00742 16/20 0.46

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
SCHEMBL7030469 0.93 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5393478 0.87 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7029799 0.83 MAOA (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5379549 0.80 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5383705 0.79 MAOB (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5388260 0.77 MAOA (0.77) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5394475 0.77 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5379565 0.76 F10 (0.52) MAOBMAOALMNAPTGS1CALML3
SCHEMBL14580149 0.76 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5378737 0.76 F10 (0.60) MAOBMAOALMNAPTGS1CALML3

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-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION 2003-04-03 — — 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-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX MAOB 364/4885MAOA 460/4885LMNA 2382/4885

“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.

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