SCHEMBL5378562

SCHEMBL5378562

CN(C[C@H]1CN(c2ccc(N3CCOC3=O)c(C(F)(F)F)c2)C(=O)O1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.49
MAOB P27338 8/20 0.44
MAOA P21397 3/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42
CMA1 P23946 7/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2J2 P51589 1/20 0.38

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
SCHEMBL5386202 0.92 F10 (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL5388553 0.88 MAOB (0.54) F10MAOBMAOALMNAPTGS1
SCHEMBL5392340 0.85 F10 (0.45) F10MAOBMAOALMNAPTGS1
SCHEMBL5384341 0.85 F10 (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL6097345 0.84 F10 (0.55) F10MAOBCYP1A2CYP3A4CYP2D6
SCHEMBL14580127 0.83 F10 (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL5382251 0.83 F10 (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL5378513 0.83 MAOA (0.62) F10MAOBMAOALMNAPTGS1
SCHEMBL14580150 0.81 F10 (0.58) F10MAOBMAOALMNAPTGS1
SCHEMBL5378737 0.81 F10 (0.60) F10MAOBMAOALMNAPTGS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030148-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2006-04-18 US claimed
US-20040059120-A1 Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES INC. 2004-03-25 US claimed
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 claimed
US-7183301-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2007-02-27 US disclosed
US-7030148-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2006-04-18 US disclosed
US-20040059120-A1 Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES INC. 2004-03-25 US disclosed
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 (2 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 F10 1269/4885MAOB 364/4885MAOA 460/4885
US-20040059120-A1 Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX F10 1429/4885MAOB 348/4885MAOA 456/4885

“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.