SCHEMBL4838404

SCHEMBL4838404

C[C@H](N)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)N[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
GPR88 Q9GZN0 3/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CCR5 P51681 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MC4R P32245 1/20 0.31
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30
LMNA P02545 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
SCHEMBL4843242 1.00 SMYD3 (0.33) SMYD3DPP4DPP9DPP7GPR88
SCHEMBL4838022 1.00 SMYD3 (0.33) SMYD3DPP4DPP9DPP7GPR88
SCHEMBL4845348 0.86 SMYD3 (0.33) SMYD3DPP4DPP7GPR88SIGMAR1
SCHEMBL4845023 0.86 SMYD3 (0.33) SMYD3DPP4DPP7GPR88SIGMAR1
SCHEMBL4845265 0.85 NR1I2 (0.32) GPR88
SCHEMBL4840615 0.85 NR1I2 (0.32) GPR88
SCHEMBL4833809 0.85 SMYD3 (0.34) SMYD3DPP4DPP9DPP7GPR88
SCHEMBL4833634 0.85 NR1I2 (0.32) GPR88
SCHEMBL4839346 0.85 NR1I2 (0.32) GPR88
SCHEMBL4833621 0.85 NR1I2 (0.32) GPR88

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 4425/4885DPP4 508/4885DPP9 144/4885

“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.