SCHEMBL4841314

SCHEMBL4841314

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.36
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 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
BRD4 O60885 3/20 0.33
MGLL Q99685 1/20 0.33
NPC1 O15118 2/20 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
SLC18A3 Q16572 1/20 0.32
CCR5 P51681 1/20 0.31

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
SCHEMBL4841500 1.00 SRD5A1 (0.36) SRD5A1DPP4DPP7PSEN1PSEN2
SCHEMBL4838014 1.00 SRD5A1 (0.36) SRD5A1DPP4DPP7PSEN1PSEN2
SCHEMBL4842347 1.00 SRD5A1 (0.36) SRD5A1DPP4DPP7PSEN1PSEN2
SCHEMBL4843465 0.87 KCNH2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4842196 0.87 KCNH2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4842145 0.87 KCNH2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4842388 0.87 KCNH2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4841364 0.85 CCR5 (0.36) SRD5A1PSEN1PSEN2APH1BNCSTN
SCHEMBL4845113 0.85 CCR5 (0.36) SRD5A1PSEN1PSEN2APH1BNCSTN
SCHEMBL4840233 0.84 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 SRD5A1 2637/4885DPP4 508/4885DPP7 220/4885

“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.