SCHEMBL6335209

SCHEMBL6335209

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.40
CALML3 P27482 5/20 0.39
MAOB P27338 6/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
SDHA P31040 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
FADS1 O60427 1/20 0.36
F10 P00742 2/20 0.36

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
SCHEMBL6767666 0.85 MAOB (0.40) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5378623 0.81 MAOA (0.44) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5845905 0.81 MAOA (0.48) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4884934 0.81 MAOA (0.43) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5730354 0.81 MAOA (0.48) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5472893 0.81 MAOB (0.62) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5323611 0.81 MAOA (0.47) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6506664 0.80 F10 (0.54) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5725958 0.80 MAOA (0.52) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4884103 0.79 MAOA (0.46) MAOACALML3MAOBLMNAPTGS1

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-6869965-B2 Such as 2-methylpropyl-(4-bromo-3-fluorophenyl)carbamate PHARMACIA & UPJOHN COMPANY (US) 2005-03-22 US claimed
US-6689769-B2 BACTERICIDES PHARMACIA & UPJOHN COMPANY 2004-02-10 US disclosed
US-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections PHARMACIA & UPJOHN COMPANY 2003-01-16 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-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections BRD7, BRD1, NQO2 MAOA 2041/4885CALML3 2894/4885MAOB 1965/4885

“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.