SCHEMBL6154449

SCHEMBL6154449

CC(C)(C)OC(=O)N1CCC(Nc2ccc(C#N)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
NPC1 O15118 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GPR119 Q8TDV5 5/20 0.55
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
PTK2 Q05397 1/20 0.48
FPR3 P25089 1/20 0.48
FPR2 P25090 1/20 0.48
MLNR O43193 2/20 0.47
USP30 Q70CQ3 1/20 0.47
PIK3CD O00329 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL13238913 1.00 ALDH1A1 (0.61) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL29136118 0.93 ALDH1A1 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL377889 0.93 ALDH1A1 (0.70) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL6153585 0.92 ALDH1A1 (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL21824798 0.90 ALDH1A1 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL30121583 0.90 ALDH1A1 (0.66) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL331605 0.87 ALDH1A1 (0.51) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL331606 0.87 ALDH1A1 (0.51) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3514725 0.85 ALDH1A1 (0.68) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20194477 0.85 ALDH1A1 (0.66) ALDH1A1NPC1MAPTMAPK1HTT

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-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 ALDH1A1 2454/4885NPC1 116/4885MAPT 4237/4885

“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.