SCHEMBL4843465

SCHEMBL4843465

C[C@H](N)C(=O)N(C(=O)[C@H](O)c1cc(F)cc(F)c1)[C@H]1C[C@@H](c2ccccc2)CCN(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DRD2 P14416 1/20 0.34
PSEN1 P49768 7/20 0.33
PSEN2 P49810 7/20 0.33
APH1B Q8WW43 7/20 0.33
NCSTN Q92542 7/20 0.33
APH1A Q96BI3 7/20 0.33
PSENEN Q9NZ42 7/20 0.33
SPPL2A Q8TCT8 1/20 0.33
PRCP P42785 1/20 0.33
CCR5 P51681 2/20 0.33
OPRM1 P35372 2/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
NR1I2 O75469 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 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
SCHEMBL4842388 1.00 KCNH2 (0.35) KCNH2HRH3DRD2PSEN1PSEN2
SCHEMBL4842145 1.00 KCNH2 (0.35) KCNH2HRH3DRD2PSEN1PSEN2
SCHEMBL4842196 1.00 KCNH2 (0.35) KCNH2HRH3DRD2PSEN1PSEN2
SCHEMBL4841500 0.87 SRD5A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4842347 0.87 SRD5A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4838014 0.87 SRD5A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4841314 0.87 SRD5A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4840883 0.85 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4833051 0.85 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4838045 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 KCNH2 4263/4885HRH3 2824/4885DRD2 4686/4885

“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.