SCHEMBL5114686

SCHEMBL5114686

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2-n1nc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.32
LMNA P02545 1/20 0.32
CRACR2A Q9BSW2 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
SCHEMBL5108954 0.85 GCGR (0.34) LMNA
SCHEMBL5114979 0.85 KDM4E (0.40) LMNA
SCHEMBL5108202 0.80 SLC5A1 (0.38) LMNA
SCHEMBL5108376 0.79 MEN1 (0.34)
SCHEMBL5108666 0.79 PPARG (0.32) LMNA
SCHEMBL5108913 0.78 CTSA (0.33)
Succinic Acid SCHEMBL2210626 0.77 HTR2C (0.37) ORAI1
SCHEMBL5108162 0.76 HTR2B (0.35)
SCHEMBL5108687 0.76 PPARG (0.33)
SCHEMBL5109414 0.76 HTR2C (0.31)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 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-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3B, HTR1A ORAI1 4255/4885LMNA 3624/4885CRACR2A 3412/4885

“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.