SCHEMBL4845012

SCHEMBL4845012

C[C@H](N)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)N(C)[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.35
CCR5 P51681 4/20 0.34
PSEN1 P49768 10/20 0.34
PSEN2 P49810 10/20 0.34
APH1B Q8WW43 10/20 0.34
NCSTN Q92542 10/20 0.34
APH1A Q96BI3 10/20 0.34
PSENEN Q9NZ42 10/20 0.34
HSD17B2 P37059 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
GSAP A4D1B5 1/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 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
SCHEMBL4837550 1.00 SMYD3 (0.35) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL4833323 1.00 SMYD3 (0.35) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL4841430 0.86 SMYD3 (0.36) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL4842686 0.86 SMYD3 (0.36) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL3346834 0.85 PSEN1 (0.34) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL4840507 0.85 SMYD3 (0.35) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL4839394 0.85 SMYD3 (0.35) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL4841393 0.85 HSD17B2 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4837549 0.85 SMYD3 (0.35) SMYD3CCR5PSEN1PSEN2APH1B
SCHEMBL4841648 0.85 HSD17B2 (0.34) 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 4144/4885PSEN1 6/4885

“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.