SCHEMBL586123

SCHEMBL586123

CC(C)(C)OC(=O)N1CCCC1C(=O)C1CCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
UCHL1 P09936 1/20 0.46
PREP P48147 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL25971819 1.00 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL5423481 0.97 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL25970777 0.97 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL5423484 0.97 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL25342396 0.95 HSD17B10 (0.62) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL28133679 0.90 HSD17B10 (0.62) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1158812 0.83 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL14201896 0.83 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6219872 0.82 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL7286305 0.82 HSD17B10 (0.61) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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 HSD17B10 838/4885SMN1; SMN2 640/4885NPC1 643/4885

“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.