SCHEMBL4840488

SCHEMBL4840488

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.37
CCR5 P51681 8/20 0.36
SIGMAR1 Q99720 2/20 0.36
SLC18A3 Q16572 1/20 0.36
OPRM1 P35372 4/20 0.36
DRD2 P14416 1/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL4841901 1.00 SMYD3 (0.37) SMYD3CCR5SIGMAR1SLC18A3OPRM1
SCHEMBL4845113 0.88 CCR5 (0.36) SMYD3CCR5SIGMAR1SLC18A3PSEN1
SCHEMBL4841364 0.88 CCR5 (0.36) SMYD3CCR5SIGMAR1SLC18A3PSEN1
SCHEMBL4842758 0.86 SIGMAR1 (0.36) SMYD3CCR5SIGMAR1SLC18A3OPRM1
SCHEMBL4841604 0.86 SIGMAR1 (0.36) SMYD3CCR5SIGMAR1SLC18A3OPRM1
SCHEMBL4843278 0.86 SIGMAR1 (0.36) SMYD3CCR5SIGMAR1SLC18A3OPRM1
SCHEMBL4842145 0.85 KCNH2 (0.35) CCR5OPRM1DRD2PSEN1PSEN2
SCHEMBL4842388 0.85 KCNH2 (0.35) CCR5OPRM1DRD2PSEN1PSEN2
SCHEMBL4842196 0.85 KCNH2 (0.35) CCR5OPRM1DRD2PSEN1PSEN2
SCHEMBL4843465 0.85 KCNH2 (0.35) CCR5OPRM1DRD2PSEN1PSEN2

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.