SCHEMBL1809644

SCHEMBL1809644

CC(=O)OC[C@@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.59
MAOA P21397 6/20 0.59
LMNA P02545 1/20 0.59
PTGS1 P23219 1/20 0.59
CALML3 P27482 1/20 0.59
SDHA P31040 1/20 0.59
F10 P00742 6/20 0.49

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
SCHEMBL14970856 0.90 MAOB (0.72) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13368068 0.86 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5810297 0.85 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL28110345 0.85 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL28428084 0.85 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL1956748 0.85 MAOB (0.82) MAOBMAOALMNAPTGS1CALML3
SCHEMBL1954721 0.85 MAOB (0.82) MAOBMAOALMNAPTGS1CALML3
SCHEMBL1953314 0.85 MAOB (0.82) MAOBMAOALMNAPTGS1CALML3
Water SCHEMBL1953296 0.84 MAOB (0.81) MAOBMAOALMNAPTGS1CALML3
SCHEMBL14345304 0.83 MAOB (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916567-B2 Certain crystalline hydrates, pharmaceutical compositions thereof and methods for preparation and use thereof UNIVERSAL TECHNOLOGY ALLIANCE, INC. (US) 2014-12-23 US disclosed
US-20110136822-A1 CERTAIN CRYSTALLINE HYDRATES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR PREPARATION AND USE THEREOF UNIVERSAL TECHNOLOGY ALLIANCE, INC. 2011-06-09 US disclosed
WO-2011054292-A1 CERTAIN CRYSTALLINE HYDRATES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR PREPARATION AND USE THEREOF SICHUAN BEILIKE BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2011-05-12 WO 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-20110136822-A1 CERTAIN CRYSTALLINE HYDRATES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR PREPARATION AND USE THEREOF ZYX, AQP3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAOB 1038/4885MAOA 749/4885LMNA 1703/4885

“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.