SCHEMBL4246196

SCHEMBL4246196

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCCOCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.32
GRM5 P41594 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
MBTPS1 Q14703 1/20 0.31
CASP1 P29466 3/20 0.31
ACE P12821 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTPN7 P35236 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
DUSP3 P51452 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
SCHEMBL4243265 0.85 TACR1 (0.33) LMNAGRM5MBTPS1ACEALDH1A1
Succinic Acid SCHEMBL506699 0.76 HTR2B (0.37) HTTSMN1; SMN2LMNA
SCHEMBL4247816 0.74 HTR2C (0.33)
SCHEMBL4244793 0.71 SLC40A1 (0.34) HTTITGB3
SCHEMBL4240983 0.69 WDR5 (0.35) ITGB3MAPT
SCHEMBL5108162 0.69 HTR2B (0.35)
SCHEMBL4927022 0.68 ALDH1A1 (0.39) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL4923068 0.68 LMNA (0.33) HTTSMN1; SMN2LMNAITGB3ITGA2B
SCHEMBL4929050 0.67
SCHEMBL5108376 0.66 MEN1 (0.34) MEN1KMT2AMAPT

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 HTT 770/4885SMN1; SMN2 1853/4885LMNA 4504/4885

“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.