SCHEMBL4841470

SCHEMBL4841470

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 4/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
SLC18A3 Q16572 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
F2 P00734 1/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
GSK3B P49841 2/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
HCRTR1 O43613 1/20 0.30
CCR5 P51681 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4839449 1.00 GPR88 (0.33) GPR88OPRM1OPRD1SIGMAR1SLC18A3
SCHEMBL4844607 1.00 GPR88 (0.33) GPR88OPRM1OPRD1SIGMAR1SLC18A3
SCHEMBL4833809 0.87 SMYD3 (0.34) GPR88OPRM1OPRD1SIGMAR1SMYD3
SCHEMBL4833846 0.87 SMYD3 (0.34) GPR88OPRM1OPRD1SIGMAR1SMYD3
SCHEMBL4843381 0.85 MASP2 (0.36) GPR88OPRM1OPRD1SIGMAR1SLC18A3
SCHEMBL4833636 0.85 MASP2 (0.36) GPR88OPRM1OPRD1SIGMAR1SLC18A3
SCHEMBL4840610 0.84 NR1I2 (0.33) GPR88SLC18A3
SCHEMBL4841579 0.84 NR1I2 (0.33) GPR88SLC18A3
SCHEMBL4841949 0.84 NR1I2 (0.33) GPR88SLC18A3
SCHEMBL4841398 0.84 NR1I2 (0.33) GPR88SLC18A3

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 GPR88 3417/4885OPRM1 4116/4885OPRD1 3342/4885

“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.