SCHEMBL4833359

SCHEMBL4833359

C[C@@H](C(N)=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@H]1CC=C[C@@H](c2ccccc2)N(C2CCCC2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.33
CCR5 P51681 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PSEN1 P49768 6/20 0.31
PSEN2 P49810 6/20 0.31
APH1B Q8WW43 6/20 0.31
NCSTN Q92542 6/20 0.31
APH1A Q96BI3 6/20 0.31
PSENEN Q9NZ42 6/20 0.31
TACR1 P25103 1/20 0.31
EPHX1 P07099 1/20 0.31
S1PR3 Q99500 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL4834185 1.00 XIAP (0.33) XIAPCCR5ALDH1A1PSEN1PSEN2
SCHEMBL4833768 1.00 XIAP (0.33) XIAPCCR5ALDH1A1PSEN1PSEN2
SCHEMBL4833527 0.87 NPSR1 (0.32) CCR5ALDH1A1PSEN1PSEN2APH1B
SCHEMBL4841625 0.87 NPSR1 (0.32) CCR5ALDH1A1PSEN1PSEN2APH1B
SCHEMBL4841265 0.85 MEN1 (0.39) ALDH1A1SIGMAR1
SCHEMBL4841905 0.85 ALDH1A1 (0.35) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL4842513 0.85 MEN1 (0.39) ALDH1A1SIGMAR1
SCHEMBL4840837 0.85 ALDH1A1 (0.35) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL4838169 0.81 KMT2A (0.33)
SCHEMBL4837715 0.81 KMT2A (0.33)

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-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US claimed
US-20060183732-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-08-17 US claimed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-20060183732-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-08-17 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-20060183732-A1 Novel lactams and uses thereof BACE1, BACE2, APP XIAP 205/4885CCR5 4144/4885ALDH1A1 2419/4885

“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.