SCHEMBL5657004

SCHEMBL5657004

COCc1cn(C[C@H]2CN(c3cc(F)c(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.66
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL14525405 0.90 MAOA (0.69) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL13939810 0.88 MAOA (0.65) MAOAKCNH2MAOB
SCHEMBL5657686 0.88 MAOA (0.67) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL5658913 0.88 MAOA (0.71) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL13939808 0.88 MAOA (0.80) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL14525401 0.85 MAOA (0.65) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL5656356 0.85 MAOA (0.66) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL14525407 0.84 MAOA (0.64) MAOAKCNH2
SCHEMBL5657354 0.84 MAOA (0.70) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL5655292 0.84 MAOA (0.70) MAOAKCNH2CYP3A4CYP2D6MAOB

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 4 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-20050182112-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-08-18 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-20050182112-A1 Chemical compounds CYP8B1, H1-0, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAOA 470/4885KCNH2 360/4885CYP3A4 31/4885

“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.