SCHEMBL5419183

SCHEMBL5419183

CCOC(=O)[C@@H](N)C(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.42
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CAD P27708 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.34
CPB2 Q96IY4 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL4045864 1.00 ALOX15 (0.42) ALOX15ALDH1A1HSD17B10LMNAGAA
SCHEMBL11087801 0.82 ALDH1A1 (0.41) ALOX15ALDH1A1LMNACYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8848952 0.80 ALOX15 (0.50) ALOX15ALDH1A1HSD17B10LMNAGAA
SCHEMBL1161876 0.79 SLC7A5 (0.44) CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6036176 0.76 ALOX15 (0.46) ALOX15ALDH1A1HSD17B10LMNAGAA
SCHEMBL9857101 0.76 ALDH1A1 (0.43) ALOX15ALDH1A1HSD17B10LMNAGAA
SCHEMBL6389387 0.76 ALOX15 (0.46) ALOX15ALDH1A1HSD17B10LMNAGAA
SCHEMBL4281970 0.76 ALOX15 (0.46) ALOX15ALDH1A1HSD17B10LMNAGAA
SCHEMBL135322 0.76 ALOX15 (0.46) ALOX15ALDH1A1HSD17B10LMNAGAA
SCHEMBL196141 0.76 ALOX15 (0.46) ALOX15ALDH1A1HSD17B10LMNAGAA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
EP-1659123-A1 BICYCLIC PYRAZOLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-05-24 EP disclosed
CN-1764456-A Treatment of related diseases using full alpha-7 nACh receptor agonists PHARMACIA & UPJOHN CO LLC (US) 2006-04-26 CN disclosed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US disclosed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US disclosed
EP-1587511-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS Pharmacia & Upjohn Company LLC (US) 2005-10-26 EP disclosed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US disclosed
EP-1572205-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
EP-1572300-A1 COMBINATION FOR THE TREATMENT OF ADHD Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder PFIZER INC 2005-05-19 US disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004052348-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
US-4172199-A ISOOXACEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1979-10-23 US disclosed
US-4113946-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-12 US disclosed
US-4066831-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4065623-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 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 (6 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-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE ALOX15 3154/4885ALDH1A1 2823/4885HSD17B10 1640/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG ALOX15 2488/4885ALDH1A1 2277/4885HSD17B10 2809/4885
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY ALOX15 1285/4885ALDH1A1 239/4885HSD17B10 257/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 ALOX15 2571/4885ALDH1A1 297/4885HSD17B10 511/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 ALOX15 4699/4885ALDH1A1 86/4885HSD17B10 367/4885
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder CHRNA7, CHRNA10, SLC18A3 ALOX15 2877/4885ALDH1A1 447/4885HSD17B10 819/4885

“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.