SCHEMBL4244793

SCHEMBL4244793

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1ccc(C(=O)NCc2ncccc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 6/20 0.34
CNR2 P34972 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
WDR5 P61964 2/20 0.32
IKBKB O14920 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
NTRK1 P04629 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
SCHEMBL4239929 0.88 SMN1; SMN2 (0.41) HPGDHTT
SCHEMBL4245052 0.88 MEN1 (0.40) HTTWDR5
SCHEMBL4243728 0.86 PPARG (0.40) WDR5NTRK1
SCHEMBL4247402 0.86 ITGB3 (0.36) WDR5IKBKBITGB3ITGB1ITGAV
SCHEMBL4240983 0.85 WDR5 (0.35) WDR5IKBKBITGB3ITGB1ITGAV
SCHEMBL4240290 0.83 HPGD (0.40) HPGDHTT
SCHEMBL4243003 0.83 HDAC3 (0.35) HPGDIKBKBITGB1
SCHEMBL4247579 0.83 HPGD (0.39) HPGD
SCHEMBL4243959 0.83 MAPT (0.39) HPGD
SCHEMBL4250667 0.83 IKBKB (0.31) HPGDIKBKB

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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 SLC40A1 1834/4885CNR2 75/4885HPGD 3805/4885

“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.