SCHEMBL4841604

SCHEMBL4841604

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
SLC18A3 Q16572 1/20 0.36
PSEN1 P49768 10/20 0.35
PSEN2 P49810 10/20 0.35
APH1B Q8WW43 10/20 0.35
NCSTN Q92542 10/20 0.35
APH1A Q96BI3 10/20 0.35
PSENEN Q9NZ42 10/20 0.35
GSAP A4D1B5 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
CCR5 P51681 1/20 0.33
CCKBR P32239 2/20 0.32
GPR88 Q9GZN0 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
SCHEMBL4842758 1.00 SIGMAR1 (0.36) SIGMAR1SLC18A3PSEN1PSEN2APH1B
SCHEMBL4843278 1.00 SIGMAR1 (0.36) SIGMAR1SLC18A3PSEN1PSEN2APH1B
SCHEMBL4837549 0.88 SMYD3 (0.35) SIGMAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4839394 0.88 SMYD3 (0.35) SIGMAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4843891 0.88 SMYD3 (0.35) SIGMAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4840507 0.88 SMYD3 (0.35) SIGMAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4841901 0.86 SMYD3 (0.37) SIGMAR1SLC18A3PSEN1PSEN2APH1B
SCHEMBL4840488 0.86 SMYD3 (0.37) SIGMAR1SLC18A3PSEN1PSEN2APH1B
SCHEMBL4833051 0.85 PSEN1 (0.33) SIGMAR1SLC18A3PSEN1PSEN2APH1B
SCHEMBL4840883 0.85 PSEN1 (0.33) SIGMAR1SLC18A3PSEN1PSEN2APH1B

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 SIGMAR1 4102/4885SLC18A3 921/4885PSEN1 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.