SCHEMBL4502247

SCHEMBL4502247

CC1(C)OB(c2ccc(N3C[C@H](Cn4cc(CF)nn4)OC3=O)cc2F)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.51
KCNH2 Q12809 2/20 0.46
MAOB P27338 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL4898414 0.90 MAOA (0.63) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL4482016 0.89 MAOA (0.57) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL4493652 0.88 MAOA (0.51) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL5955468 0.83 MAOA (0.62) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL4171617 0.83 MAOA (0.62) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL4488687 0.82 MAOA (0.57) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL5371891 0.81 MAOA (0.41) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL13484703 0.80 F10 (0.46) MAOAMAOB
SCHEMBL10196142 0.80 CALML3 (0.44) MAOAMAOB
SCHEMBL14838111 0.79 CALML3 (0.56) MAOAMAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498350-B2 Oxazolidinones as antibacterial agents ASTRAZENECA AB (SE) 2009-03-03 US disclosed
EP-1599471-B1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2008-05-28 EP disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060116386-A1 Oxazolidinones as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
US-20060058314-A1 Oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1599471-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS Astrazeneca AB (SE) 2005-11-30 EP disclosed
EP-1572688-A1 OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Astrazeneca AB (SE) 2005-09-14 EP disclosed
WO-2004078753-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2004-09-16 WO disclosed
WO-2004056817-A1 OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2004-07-08 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 (4 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-20060116386-A1 Oxazolidinones as antibacterial agents MRPL21, MRPS23, DPP3 MAOA 279/4885KCNH2 1224/4885MAOB 120/4885
US-20060058314-A1 Oxazolidinone derivatives and their use as antibacterial agents NR0B1, NR0B2, CYP8B1 MAOA 519/4885KCNH2 3667/4885MAOB 331/4885
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents NR0B2, NR0B1, HRH2 MAOA 293/4885KCNH2 2706/4885MAOB 168/4885
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents RPS7, CYP3A7, CYP2A7 MAOA 1154/4885KCNH2 1197/4885MAOB 1493/4885

“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.