SCHEMBL4843646

SCHEMBL4843646

C[C@H](N)C(=O)N(C(=O)[C@@H](O)c1cc(F)cc(F)c1)[C@@H]1C(=O)N(C)CC(c2ccccc2)=C[C@H]1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.33
KCNH2 Q12809 4/20 0.33
PSEN1 P49768 7/20 0.32
PSEN2 P49810 7/20 0.32
APH1B Q8WW43 7/20 0.32
NCSTN Q92542 7/20 0.32
APH1A Q96BI3 7/20 0.32
PSENEN Q9NZ42 7/20 0.32
SPPL2A Q8TCT8 1/20 0.32
HSD17B2 P37059 1/20 0.31
NR1I2 O75469 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
XIAP P98170 1/20 0.30

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
SCHEMBL4840578 1.00 KIF11 (0.33) KIF11KCNH2PSEN1PSEN2APH1B
SCHEMBL4838150 1.00 KIF11 (0.33) KIF11KCNH2PSEN1PSEN2APH1B
SCHEMBL4841271 1.00 KIF11 (0.33) KIF11KCNH2PSEN1PSEN2APH1B
SCHEMBL4845133 0.85 PSEN1 (0.34) KIF11KCNH2PSEN1PSEN2APH1B
SCHEMBL4845359 0.85 PSEN1 (0.34) KIF11KCNH2PSEN1PSEN2APH1B
SCHEMBL4841677 0.84 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4841661 0.84 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4839824 0.84 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4841718 0.84 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4836895 0.83 GPR88 (0.33) NR1I2TRPM8GPR88

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 KIF11 4643/4885KCNH2 4263/4885PSEN1 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.