SCHEMBL586645

SCHEMBL586645

CC(C)C[C@H](O)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ BACE1 P56817 3/20 0.47
▸ BCHE P06276 1/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CCR3 P51677 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ RIN1 Q13671 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 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
SCHEMBL585808 1.00 ACHE (0.49) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL27862869 1.00 ACHE (0.49) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL27862870 1.00 ACHE (0.49) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL12459770 0.87 ACHE (0.53) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL12459768 0.87 ACHE (0.53) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL5980555 0.85 ACHE (0.54) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL7779863 0.85 ACHE (0.54) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL7775686 0.85 ACHE (0.54) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL7775764 0.85 ACHE (0.54) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL13676574 0.82 ACHE (0.57) ACHEALDH1A1BACE1BCHECYP1A2

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 6 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
CN-102388036-A Serotonin and norepinephrine reuptake inhibitor LILLY CO ELI 2012-03-21 — — CN 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 ACHE 104/4885ALDH1A1 467/4885BACE1 1282/4885

“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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