SCHEMBL3545865

SCHEMBL3545865

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.37
MME P08473 1/20 0.37
SMYD3 Q9H7B4 1/20 0.35
CCR5 P51681 3/20 0.34
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
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
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
SCHEMBL3342984 0.85 CCR5 (0.34) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL3346834 0.85 PSEN1 (0.34) ACEMMESMYD3CCR5PSEN1
SCHEMBL4842686 0.84 SMYD3 (0.36) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL4841430 0.84 SMYD3 (0.36) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL3343975 0.84 DPP4 (0.36) CCR5MEN1KMT2A
SCHEMBL3342827 0.83 SMYD3 (0.34) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL4837998 0.82 PSEN1 (0.35) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL4839652 0.82 PSEN1 (0.35) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL3342704 0.81 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4841901 0.81 SMYD3 (0.37) SMYD3CCR5PSEN1PSEN2APH1B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US claimed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP claimed
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 EP claimed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US claimed
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 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 (2 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B ACE 139/4885MME 345/4885SMYD3 4646/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 ACE 1364/4885MME 673/4885SMYD3 860/4885

“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.