SCHEMBL585735

SCHEMBL585735

COc1ccc(O[C@@H](CC(C)C)[C@H]2CCN(Cc3ccccc3)C2)c(C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.57
▸ SLC6A4 P31645 5/20 0.57
▸ SLC6A3 Q01959 1/20 0.52
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ DRD2 P14416 5/20 0.38
▸ DRD4 P21917 5/20 0.38
▸ ACHE P22303 3/20 0.38
▸ BACE1 P56817 3/20 0.38
▸ GMNN O75496 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL586508 1.00 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL2676956 0.88 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3DRD2DRD4
SCHEMBL586072 0.88 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3DRD2DRD4
SCHEMBL590981 0.75 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL586043 0.73 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL585821 0.73 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL585808 0.69 ACHE (0.49) ACHEBACE1ALDH1A1CYP3A4CYP2D6
SCHEMBL27862870 0.69 ACHE (0.49) ACHEBACE1ALDH1A1CYP3A4CYP2D6
SCHEMBL27862869 0.69 ACHE (0.49) ACHEBACE1ALDH1A1CYP3A4CYP2D6
SCHEMBL586645 0.69 ACHE (0.49) ACHEBACE1ALDH1A1CYP3A4CYP2D6

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
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
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
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 SLC6A2 1/4885SLC6A4 2/4885SLC6A3 4/4885

“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.

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