SCHEMBL5657622

SCHEMBL5657622

O=C1O[C@@H](Cn2cc(CO)nn2)CN1c1ccc(C2=CC[S@+]([O-])CC2)c(F)c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.72
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 2/20 0.45
CALML3 P27482 1/20 0.45

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
SCHEMBL14525371 1.00 MAOA (0.72) MAOACYP3A4CYP2D6KCNH2CALML3
SCHEMBL5656542 0.92 MAOA (0.61) MAOACYP3A4CYP2D6KCNH2CALML3
SCHEMBL14525375 0.92 MAOA (0.61) MAOACYP3A4CYP2D6KCNH2CALML3
SCHEMBL4014908 0.89 MAOA (0.71) MAOACYP3A4CYP2D6KCNH2
SCHEMBL13939803 0.89 MAOA (0.71) MAOACYP3A4CYP2D6KCNH2
SCHEMBL14525366 0.88 MAOA (0.58) MAOACYP3A4CYP2D6KCNH2
SCHEMBL5654671 0.88 MAOA (0.56) MAOAKCNH2
SCHEMBL14525377 0.88 MAOA (0.56) MAOAKCNH2
SCHEMBL14525376 0.88 MAOA (0.57) MAOACYP3A4CYP2D6KCNH2
SCHEMBL5658912 0.88 MAOA (0.58) MAOACYP3A4CYP2D6KCNH2CALML3

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 3 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-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 470/4885CYP3A4 31/4885CYP2D6 53/4885

“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.