SCHEMBL3334063

SCHEMBL3334063

CC(=O)N1CCN(c2ccc(CO)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.65
CASP6 P55212 1/20 0.65
MAPT P10636 8/20 0.59
GAA P10253 6/20 0.59
ALOX15 P16050 6/20 0.59
ALOX12 P18054 6/20 0.59
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
TSHR P16473 2/20 0.59
HTT P42858 2/20 0.59
LMNA P02545 2/20 0.59
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CHKA P35790 1/20 0.57

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
SCHEMBL28512583 0.87 GFER (0.61) GFERCASP6MAPTGAAALOX15
SCHEMBL764335 0.86 MAPT (0.76) GFERCASP6MAPTGAAALOX15
SCHEMBL20346925 0.85 GFER (0.68) GFERCASP6MAPTGAAALOX15
SCHEMBL1136936 0.84 CHKA (0.54) GFERMAPTALDH1A1MEN1KMT2A
SCHEMBL20424995 0.83 GFER (0.61) GFERCASP6MAPTGAAALOX15
SCHEMBL30754206 0.82 GFER (0.64) GFERCASP6MAPTGAAALOX15
SCHEMBL20306323 0.82 GFER (0.59) GFERCASP6MAPTGAAALOX15
SCHEMBL19696932 0.82 GFER (0.59) GFERCASP6MAPTGAAALOX15
SCHEMBL1433159 0.81 AOC3 (0.72) RORC
SCHEMBL13061748 0.81 MAPT (0.69) GFERCASP6MAPTGAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143455-A1 Triazole antifungal agents WU NIAN 2010-06-10 US disclosed
US-20090233843-A1 METHODS AND COMPOSITIONS FOR TREATING DIABETES, METABOLIC SYNDROME AND OTHER CONDITIONS CORTENDO INVEST AB (SE) 2009-09-17 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 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 (2 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-20090233843-A1 METHODS AND COMPOSITIONS FOR TREATING DIABETES, METABOLIC SYNDROME AND OTHER CONDITIONS CYP11B2, HSD3B2, HSD3B1 GFER 3782/4885CASP6 4430/4885MAPT 916/4885
US-20100143455-A1 Triazole antifungal agents CYP3A7, ERG28, UGT1A7 GFER 2320/4885CASP6 1074/4885MAPT 1110/4885

“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.