SCHEMBL4243728

SCHEMBL4243728

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
WDR5 P61964 4/20 0.37
CXCR3 P49682 4/20 0.37
NTRK1 P04629 1/20 0.36
S1PR3 Q99500 1/20 0.35
SSTR3 P32745 1/20 0.35
CHRM3 P20309 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL4245052 0.91 MEN1 (0.40) PPARGWDR5CHRM3
SCHEMBL4244793 0.86 SLC40A1 (0.34) WDR5NTRK1
SCHEMBL4243003 0.86 HDAC3 (0.35)
SCHEMBL4247402 0.86 ITGB3 (0.36) WDR5NTRK1
SCHEMBL4250667 0.86 IKBKB (0.31)
SCHEMBL4240983 0.85 WDR5 (0.35) PPARGWDR5CXCR3NTRK1
SCHEMBL4247987 0.85
SCHEMBL4247579 0.84 HPGD (0.39) CXCR3
SCHEMBL4239929 0.84 SMN1; SMN2 (0.41)
SCHEMBL4243959 0.83 MAPT (0.39)

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 PPARG 1057/4885WDR5 443/4885CXCR3 1159/4885

“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.