SCHEMBL6237901

SCHEMBL6237901

O=C1O[C@@H](CNC(=O)C(F)(F)F)CN1c1ccc2c(c1)CCCc1cn[nH]c1-2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.43
F10 P00742 13/20 0.42
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
CALML3 P27482 2/20 0.40
MAOB P27338 2/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
SDHA P31040 1/20 0.40

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
SCHEMBL6237906 1.00 MAOA (0.43) MAOAF10ITGB3ITGA2BCALML3
SCHEMBL6269001 0.90 MAOA (0.42) MAOAF10ITGB3ITGA2BCALML3
SCHEMBL6269006 0.90 MAOA (0.42) MAOAF10ITGB3ITGA2BCALML3
SCHEMBL6233936 0.89 MAOA (0.53) MAOAF10CALML3MAOBLMNA
SCHEMBL6233943 0.89 MAOA (0.53) MAOAF10CALML3MAOBLMNA
SCHEMBL6239329 0.88 MAOA (0.43) MAOAF10CALML3MAOBLMNA
SCHEMBL6239337 0.88 MAOA (0.43) MAOAF10CALML3MAOBLMNA
SCHEMBL6481611 0.87 MAOA (0.42) MAOAF10CALML3MAOBLMNA
SCHEMBL6242022 0.87 MAOA (0.44) MAOAF10CALML3MAOBLMNA
SCHEMBL6242031 0.87 MAOA (0.44) MAOAF10CALML3MAOBLMNA

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-20050288273-A1 Antibacterial agents BOYER FREDERICK E JR 2005-12-29 US disclosed
EP-1594865-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
WO-2004069832-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 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-20050288273-A1 Antibacterial agents MRPL21, RPN2, FBL MAOA 236/4885F10 2894/4885ITGB3 2616/4885

“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.