SCHEMBL4841430

SCHEMBL4841430

C[C@H](N)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)N(C)CCC[C@H]1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.36
CCR5 P51681 8/20 0.36
SIGMAR1 Q99720 1/20 0.35
PSEN1 P49768 9/20 0.34
PSEN2 P49810 9/20 0.34
APH1B Q8WW43 9/20 0.34
NCSTN Q92542 9/20 0.34
APH1A Q96BI3 9/20 0.34
PSENEN Q9NZ42 9/20 0.34
GSAP A4D1B5 1/20 0.32

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
SCHEMBL4842686 1.00 SMYD3 (0.36) SMYD3CCR5SIGMAR1PSEN1PSEN2
SCHEMBL4833323 0.86 SMYD3 (0.35) SMYD3CCR5SIGMAR1PSEN1PSEN2
SCHEMBL4845012 0.86 SMYD3 (0.35) SMYD3CCR5SIGMAR1PSEN1PSEN2
SCHEMBL4837550 0.86 SMYD3 (0.35) SMYD3CCR5SIGMAR1PSEN1PSEN2
SCHEMBL4833610 0.85 CCR5 (0.35) SMYD3CCR5SIGMAR1PSEN1PSEN2
SCHEMBL4833309 0.85 CCR5 (0.35) SMYD3CCR5SIGMAR1PSEN1PSEN2
SCHEMBL4845690 0.85 CCR5 (0.35) SMYD3CCR5SIGMAR1PSEN1PSEN2
SCHEMBL4843288 0.85 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4841616 0.85 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4845563 0.85 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A

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 SMYD3 4425/4885CCR5 4144/4885SIGMAR1 4102/4885

“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.