SCHEMBL585658

SCHEMBL585658

CCOP(=O)(CC(=O)C1CCN(C(=O)O)C1)OCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 2/20 0.36
CHRM1 P11229 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARD Q03181 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL585955 0.83 KMT2A (0.50) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL1131216 0.78 TSHR (0.43) MAPTPPARDTSHR
SCHEMBL1536111 0.77 MMP1 (0.43) ALDH1A1PPARDTSHR
SCHEMBL14890810 0.76 GAA (0.35) GAAALDH1A1MAPTNPC1RAB9A
SCHEMBL16212252 0.74 GAA (0.46) GAAALDH1A1MAPTCHRM1THRB
SCHEMBL21411461 0.72 ALDH1A1 (0.62) GAAALDH1A1MAPTKDM4ECYP3A4
SCHEMBL21930188 0.72 VNN1 (0.41) GAAALDH1A1MAPTTHRBATM
SCHEMBL12085750 0.72 VNN1 (0.41) GAAALDH1A1MAPTTHRBATM
SCHEMBL21929958 0.72 VNN1 (0.41) GAAALDH1A1MAPTTHRBATM
SCHEMBL8197023 0.71 ALDH1A1 (0.58) ALDH1A1MAPTCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417124-B1 Serotonin and norepinephrine reuptake inhibitor LILLY CO ELI (US) 2013-12-18 EP disclosed
US-8173821-B2 Serotonin and norepinephrine reuptake inhibitor ELI LILLY AND COMPANY (US) 2012-05-08 US disclosed
EP-2417124-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR Eli Lilly and Company (US) 2012-02-15 EP disclosed
WO-2010117979-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 WO disclosed
US-20100261762-A1 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 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-20100261762-A1 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR SLC6A2, SLC6A4, TPH1 GAA 1320/4885ALDH1A1 467/4885MAPT 450/4885

“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.