SCHEMBL4833846

SCHEMBL4833846

C[C@H](N)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@H]1CCC[C@@H](c2ccccc2)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.34
KCNH2 Q12809 2/20 0.32
SCN3A Q9NY46 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
PSEN1 P49768 3/20 0.32
PSEN2 P49810 3/20 0.32
APH1B Q8WW43 3/20 0.32
NCSTN Q92542 3/20 0.32
APH1A Q96BI3 3/20 0.32
PSENEN Q9NZ42 3/20 0.32
CCR5 P51681 1/20 0.32
DPP4 P27487 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
MC4R P32245 1/20 0.31
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
SLC5A1 P13866 1/20 0.30
EPHX1 P07099 1/20 0.30
GPR88 Q9GZN0 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
SCHEMBL4833809 1.00 SMYD3 (0.34) SMYD3KCNH2SCN3ASIGMAR1PSEN1
SCHEMBL4839449 0.87 GPR88 (0.33) SMYD3SIGMAR1PSEN1PSEN2APH1B
SCHEMBL4841470 0.87 GPR88 (0.33) SMYD3SIGMAR1PSEN1PSEN2APH1B
SCHEMBL4844607 0.87 GPR88 (0.33) SMYD3SIGMAR1PSEN1PSEN2APH1B
SCHEMBL4843242 0.85 SMYD3 (0.33) SMYD3SIGMAR1PSEN1PSEN2APH1B
SCHEMBL4838022 0.85 SMYD3 (0.33) SMYD3SIGMAR1PSEN1PSEN2APH1B
SCHEMBL4838404 0.85 SMYD3 (0.33) SMYD3SIGMAR1PSEN1PSEN2APH1B
SCHEMBL4845944 0.84 NR1I2 (0.33)
SCHEMBL4839536 0.84 NR1I2 (0.33)
SCHEMBL4833518 0.84 NR1I2 (0.33)

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 4425/4885KCNH2 4263/4885SCN3A 1403/4885

“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.