SCHEMBL4842750

SCHEMBL4842750

C[C@H](N)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@H]1CC[C@@H](c2ccccc2)CNC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.34
F2 P00734 2/20 0.33
MC4R P32245 1/20 0.33
MASP2 O00187 1/20 0.33
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
GSK3B P49841 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
NAAA Q02083 3/20 0.32
CCR5 P51681 1/20 0.32
FAAH O00519 1/20 0.32
SLC18A3 Q16572 1/20 0.31
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
SCHEMBL4842540 1.00 SMYD3 (0.34) SMYD3F2MC4RMASP2CCNE1
SCHEMBL4833636 0.87 MASP2 (0.36) SMYD3F2MC4RMASP2CCNE1
SCHEMBL4843381 0.87 MASP2 (0.36) SMYD3F2MC4RMASP2CCNE1
SCHEMBL4840626 0.84 NR1I2 (0.33) NAAA
SCHEMBL4836389 0.84 NR1I2 (0.33) NAAA
SCHEMBL4833049 0.84 NR1I2 (0.33) NAAA
SCHEMBL4838551 0.84 GPR88 (0.33) SMYD3F2MASP2CCR5FAAH
SCHEMBL4833820 0.84 GPR88 (0.33) SMYD3F2MASP2CCR5FAAH
SCHEMBL4843385 0.84 GPR88 (0.33) SMYD3F2MASP2CCR5FAAH
SCHEMBL4833809 0.84 SMYD3 (0.34) SMYD3MC4RSIGMAR1PSEN1PSEN2

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 4425/4885F2 2319/4885MC4R 4828/4885

“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.