SCHEMBL3901925

SCHEMBL3901925

CC1CN(C(C)C(=O)O)CCO1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.43
PDK1 Q15118 2/20 0.42
GLRA1 P23415 1/20 0.41
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
VNN1 O95497 2/20 0.31

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
SCHEMBL9060400 0.84 PDK1 (0.41) SLC6A9PDK1GLRA1
SCHEMBL27991068 0.83 PDK1 (0.40) SLC6A9PDK1GLRA1
SCHEMBL12332159 0.81 SLC6A9 (0.39) SLC6A9PDK1HRH3ALDH1A1
SCHEMBL12233419 0.81 SLC6A9 (0.39) SLC6A9PDK1HRH3ALDH1A1
SCHEMBL12206881 0.81 SLC6A9 (0.39) SLC6A9PDK1HRH3ALDH1A1
SCHEMBL12110186 0.81 HRH3 (0.41) PDK1GLRA1HRH3
SCHEMBL2306205 0.81 HRH3 (0.41) PDK1GLRA1HRH3
SCHEMBL12110189 0.81 HRH3 (0.41) PDK1GLRA1HRH3
SCHEMBL9449721 0.79 ALDH1A1 (0.44) PDK1GLRA1HRH3ALDH1A1
SCHEMBL457462 0.77 ALDH1A1 (0.42) SLC6A9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501438-B2 Pyridoimidazole derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-10 US disclosed
US-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 US disclosed
WO-2008005908-A2 PYRIDOIMIDAZOLE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO disclosed
US-20050282387-A1 Metal polish composition, polishing method using the composition and method for producing wafer using the polishing method SHOWA DENKO K.K. (JP) 2005-12-22 US disclosed
EP-1517972-A1 METAL POLISH COMPOSITION, POLISHING METHOD USING THE COMPOSITION AND METHOD FOR PRODUCING WAFER USING THE POLISHING METHOD Showa Denko K.K. (JP) 2005-03-30 EP disclosed
WO-2003104350-A1 METAL POLISH COMPOSITION, POLISHING METHOD USING THE COMPOSITION AND METHOD FOR PRODUCING WAFER USING THE POLISHING METHOD SHOWA DENKO K.K. (JP) 2003-12-18 WO disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 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-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands CNR1, CNR2, OPRK1 SLC6A9 4813/4885PDK1 3780/4885GLRA1 247/4885

“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.