SCHEMBL5658179

SCHEMBL5658179

Cc1cn(-c2ccc(N3C[C@H](Cn4cc(CO)nn4)OC3=O)cc2F)cn1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.58
KCNH2 Q12809 3/20 0.53
MAOB P27338 1/20 0.47
CYP3A4 P08684 1/20 0.44

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
SCHEMBL5658882 0.92 MAOA (0.54) MAOAKCNH2MAOBCYP3A4
SCHEMBL4015253 0.91 MAOA (0.64) MAOAKCNH2MAOBCYP3A4
SCHEMBL4013055 0.90 MAOA (0.60) MAOAKCNH2MAOBCYP3A4
SCHEMBL5235589 0.85 CALML3 (0.56) MAOAMAOBCYP3A4
SCHEMBL5834576 0.85 CALML3 (0.56) MAOAMAOBCYP3A4
SCHEMBL4014459 0.85 MAOA (0.61) MAOAKCNH2MAOBCYP3A4
SCHEMBL5235407 0.84 MAOA (0.52) MAOAKCNH2MAOBCYP3A4
SCHEMBL4018740 0.82 MAOA (0.47) MAOAKCNH2MAOBCYP3A4
SCHEMBL5230449 0.81 MAOA (0.53) MAOAKCNH2MAOBCYP3A4
SCHEMBL16737257 0.81 MAOA (0.65) MAOAKCNH2MAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182112-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-08-18 US claimed
US-7199143-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-04-03 US disclosed
US-7199143-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-04-03 US disclosed
US-7199143-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-04-03 US disclosed
US-20050182112-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-08-18 US disclosed
EP-1480975-A2 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2004-12-01 EP disclosed
WO-2003072576-A2 OXAZOLIDINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-09-04 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-20050182112-A1 Chemical compounds CYP8B1, H1-0, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAOA 470/4885KCNH2 360/4885MAOB 355/4885

“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.