SCHEMBL8233730

SCHEMBL8233730

CCc1cc(CCC(=O)OC)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
GFER P55789 1/20 0.45
HDAC1 Q13547 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPN1 P18031 2/20 0.42
BACE1 P56817 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ALOX5 P09917 1/20 0.40
OR51E2 Q9H255 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL18046156 0.85 ALDH1A1 (0.53) ALDH1A1GAAGFERHDAC1SIRT2
SCHEMBL15184525 0.84 ALDH1A1 (0.64) ALDH1A1GAAGFERKDM4EMAPT
SCHEMBL16048663 0.83 BACE1 (0.58) ALDH1A1GAAGFERHPGDALOX15
SCHEMBL23582361 0.83 GAA (0.54) ALDH1A1GAAGFERHDAC1SIRT2
SCHEMBL19050497 0.82 MAPT (0.47) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL7283109 0.81 ALDH1A1 (0.57) ALDH1A1GAAGFERMAPTTSHR
SCHEMBL3680541 0.81 ALDH1A1 (0.45) ALDH1A1GAAGFERHDAC1SIRT2
SCHEMBL23665899 0.81 CYP3A4 (0.49) ALDH1A1GAAGFERHDAC1SIRT2
SCHEMBL3446879 0.81 ALDH1A1 (0.45) ALDH1A1GAAGFERHDAC1SIRT2
SCHEMBL20429081 0.80 PTPN1 (0.46) ALDH1A1SIRT2KDM4EMAPTTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A ALDH1A1 690/4885GAA 3449/4885GFER 1968/4885

“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.