SCHEMBL5108913

SCHEMBL5108913

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2-n1nccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.32
P2RX7 Q99572 3/20 0.31
RORC P51449 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
HCRTR1 O43613 3/20 0.30
HCRTR2 O43614 3/20 0.30
APLNR P35414 1/20 0.30
RBP4 P02753 2/20 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
SCHEMBL5108202 0.86 SLC5A1 (0.38)
SCHEMBL5108666 0.86 PPARG (0.32) HTR2CHTR2BHTR2A
Succinic Acid SCHEMBL2208114 0.78 RORC (0.34) HTR2CHTR2BHTR2ARORCSLC6A2
SCHEMBL5114686 0.78 ORAI1 (0.32)
SCHEMBL5108954 0.77 GCGR (0.34) TSHR
SCHEMBL5114979 0.76 KDM4E (0.40)
SCHEMBL12433843 0.75 HTR2A (0.39) HTR2CHTR2BHTR2ARORCCYP1A2
SCHEMBL5108437 0.73 TDP1 (0.42) KCNH2
SCHEMBL5109414 0.72 HTR2C (0.31) HTR2CHTR2BHTR2ASLC6A3KCNH2
SCHEMBL5116134 0.71 GRM5 (0.35)

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 CTSA 4131/4885HTR2C 1/4885HTR2B 7/4885

“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.