SCHEMBL5657198

SCHEMBL5657198

O=C1O[C@@H](Cn2nnc(C3CC3)n2)CN1c1cc(F)c(C2=CCS(=O)(=O)CC2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.55
MAOB P27338 2/20 0.34
CALML3 P27482 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 2/20 0.33

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
SCHEMBL4017450 0.88 MAOA (0.59) MAOAMAOBCALML3CYP3A4CYP2D6
SCHEMBL14525410 0.87 MAOA (0.56) MAOAMAOBCALML3CYP3A4CYP2D6
SCHEMBL4017100 0.87 MAOA (0.56) MAOAMAOB
SCHEMBL5658036 0.86 MAOA (0.54) MAOAMAOBCALML3CYP3A4CYP2D6
Methane SCHEMBL5657072 0.85 MAOA (0.54) MAOAMAOBCALML3CYP3A4CYP2D6
SCHEMBL4011527 0.85 MAOA (0.54) MAOAMAOBCYP3A4KCNH2
SCHEMBL5235196 0.85 MAOA (0.59) MAOAMAOBCALML3CYP3A4CYP2D6
SCHEMBL14525412 0.85 MAOA (0.53) MAOAMAOBCALML3CYP3A4CYP2D6
SCHEMBL5656356 0.84 MAOA (0.66) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5233962 0.83 MAOA (0.58) MAOAMAOBCALML3CYP3A4CYP2D6

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 470/4885MAOB 355/4885CALML3 4065/4885

“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.