SCHEMBL5114979

SCHEMBL5114979

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2-n1nc(C(F)(F)F)cc1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
TNFSF11 O14788 1/20 0.36
CNR1 P21554 1/20 0.35
GCGR P47871 1/20 0.34
ANPEP P15144 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
RXRA P19793 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
FFAR1 O14842 1/20 0.31
LIMK1 P53667 1/20 0.30
LIMK2 P53671 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
SCHEMBL5108954 0.85 GCGR (0.34) KDM4ENPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5114686 0.85 ORAI1 (0.32) LMNA
Succinic Acid SCHEMBL2208402 0.79 KDM4E (0.44) KDM4EHTTNPSR1ALDH1A1HPGD
SCHEMBL5108202 0.77 SLC5A1 (0.38) KDM4ELMNACNR1
SCHEMBL5108666 0.77 PPARG (0.32) LMNACNR1
SCHEMBL12511969 0.76 KDM4E (0.39) KDM4EHTTNPSR1ALDH1A1HPGD
SCHEMBL5108913 0.76 CTSA (0.33)
SCHEMBL5108437 0.74 TDP1 (0.42) KDM4EALDH1A1HPGDLMNAGCGR
SCHEMBL5108376 0.74 MEN1 (0.34) MEN1KMT2A
SCHEMBL5108162 0.73 HTR2B (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 KDM4E 1088/4885HTT 532/4885NPSR1 63/4885

“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.