SCHEMBL6236096

SCHEMBL6236096

CC(=O)NCC1CN(c2ccc3c(c2)-c2[nH]nc(-c4ccc(F)cc4)c2CCC3)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.49
MAOB P27338 3/20 0.47
PTGS1 P23219 2/20 0.47
SDHA P31040 2/20 0.47
LMNA P02545 1/20 0.47
CALML3 P27482 1/20 0.47
ROCK2 O75116 1/20 0.39
NAMPT P43490 1/20 0.39
ABCB11 O95342 1/20 0.38
F10 P00742 2/20 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
SCHEMBL6236090 1.00 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6237920 0.94 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6237924 0.94 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6237329 0.93 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6237320 0.93 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6238626 0.92 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6238631 0.92 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6240792 0.92 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6240786 0.92 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6241956 0.92 MAOA (0.45) MAOAMAOBPTGS1SDHALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288273-A1 Antibacterial agents BOYER FREDERICK E JR 2005-12-29 US claimed
US-20050288273-A1 Antibacterial agents BOYER FREDERICK E JR 2005-12-29 US disclosed
US-20050277630-A1 Antibacterial agents CHUPAK LOUIS S 2005-12-15 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 (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-20050277630-A1 Antibacterial agents MRPL21, RPN2, FBL MAOA 236/4885MAOB 221/4885PTGS1 810/4885
US-20050288273-A1 Antibacterial agents MRPL21, RPN2, FBL MAOA 236/4885MAOB 221/4885PTGS1 810/4885

“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.