SCHEMBL4841364

SCHEMBL4841364

C[C@H](N)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@H]1CC[C@@H](c2ccccc2)CN(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.36
SRD5A1 P18405 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
PSEN1 P49768 5/20 0.35
PSEN2 P49810 5/20 0.35
APH1B Q8WW43 5/20 0.35
NCSTN Q92542 5/20 0.35
APH1A Q96BI3 5/20 0.35
PSENEN Q9NZ42 5/20 0.35
SIGMAR1 Q99720 2/20 0.34
SLC18A3 Q16572 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
BRD4 O60885 2/20 0.32

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
SCHEMBL4845113 1.00 CCR5 (0.36) CCR5SRD5A1SMYD3PSEN1PSEN2
SCHEMBL4840488 0.88 SMYD3 (0.37) CCR5SMYD3PSEN1PSEN2APH1B
SCHEMBL4841901 0.88 SMYD3 (0.37) CCR5SMYD3PSEN1PSEN2APH1B
SCHEMBL4838014 0.85 SRD5A1 (0.36) CCR5SRD5A1PSEN1PSEN2APH1B
SCHEMBL4841314 0.85 SRD5A1 (0.36) CCR5SRD5A1PSEN1PSEN2APH1B
SCHEMBL4841500 0.85 SRD5A1 (0.36) CCR5SRD5A1PSEN1PSEN2APH1B
SCHEMBL4842347 0.85 SRD5A1 (0.36) CCR5SRD5A1PSEN1PSEN2APH1B
SCHEMBL4833309 0.84 CCR5 (0.35) CCR5SMYD3PSEN1PSEN2APH1B
SCHEMBL4845690 0.84 CCR5 (0.35) CCR5SMYD3PSEN1PSEN2APH1B
SCHEMBL4833610 0.84 CCR5 (0.35) CCR5SMYD3PSEN1PSEN2APH1B

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 CCR5 4144/4885SRD5A1 2637/4885SMYD3 4425/4885

“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.